ChemSpider 2D Image | (3R,4R)-4-({[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)-3-piperidinol | C22H30N6O

(3R,4R)-4-({[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)-3-piperidinol

  • Molecular FormulaC22H30N6O
  • Average mass394.513 Da
  • Monoisotopic mass394.248108 Da
  • ChemSpider ID59053821
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-4-({[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)-3-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-({[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)-3-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-({[7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl]amino}méthyl)-3-pipéridinol [French] [ACD/IUPAC Name]
3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, (3R,4R)- [ACD/Index Name]
1805789-54-1 [RN]
1805833-75-3 [RN]
1805833-75-3 (free base)
Compound 1523
ICEC0942 free base

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.58
Polar Surface Area: 87 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

Click to predict properties on the Chemicalize site






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