There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | itacitinib | C26H23F4N9O


  • Molecular FormulaC26H23F4N9O
  • Average mass553.514 Da
  • Monoisotopic mass553.196167 Da
  • ChemSpider ID35033258

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1-{1-[3-Fluor-2-(trifluormethyl)isonicotinoyl]-4-piperidinyl}-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl)acetonitril [German] [ACD/IUPAC Name]
(1-{1-[3-Fluoro-2-(trifluoromethyl)isonicotinoyl]-4-piperidinyl}-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl)acetonitrile [ACD/IUPAC Name]
(1-{1-[3-Fluoro-2-(trifluorométhyl)isonicotinoyl]-4-pipéridinyl}-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azétidinyl)acétonitrile [French] [ACD/IUPAC Name]
1334298-90-6 [RN]
3-Azetidineacetonitrile, 1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]- [ACD/Index Name]
itacitinib [INN] [USAN]
itacitinib [Spanish] [INN]
itacitinib [French] [INN]
itacitinibum [Latin] [INN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Itacitinib (INCB039110) is an oral selective JAK1 inhibitor.;Target: JAK1;In vitro: Itacitinib is an inhibitor of the Janus kinases (JAKs) with selectivity for JAK1. Itacitinib potently inhibits OCT2-mediated uptake of creatinine as well as MATE1-/MATE2-K-mediated efflux of creatinine. Itacitinib causes a dose-dependent decrease in transcellular transport of creatinine with weaker net inhibition compared with the effects on individual transporters. MedChem Express HY-16997
      JAK MedChem Express HY-16997
      JAK/STAT Signaling; MedChem Express HY-16997

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 770.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±35.7 °C
Index of Refraction: 1.711
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.19
Polar Surface Area: 115 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 351.6±7.0 cm3

Click to predict properties on the Chemicalize site