ChemSpider 2D Image | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{2'-methyl-1',3'-dihydrospiro[cyclopropane-1,4'-isoquinolin]-7'-ylamino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one | C28H31N7O2

1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{2'-methyl-1',3'-dihydrospiro[cyclopropane-1,4'-isoquinolin]-7'-ylamino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one

  • Molecular FormulaC28H31N7O2
  • Average mass497.591 Da
  • Monoisotopic mass497.253937 Da
  • ChemSpider ID114642010

More details:

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

1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-({2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl}amino)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{2'-methyl-1',3'-dihydrospiro[cyclopropane-1,4'-isoquinolin]-7'-ylamino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
2272976-28-8 [RN]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-[(2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-[(2'-methyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-[(2'-méthyl-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-isoquinolin]-7'-yl)amino]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 6-[(2',3'-dihydro-2'-methylspiro[cyclopropane-1,4'(1'H)-isoquinolin]-7'-yl)amino]-1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-2-(2-propen-1-yl)- [ACD/Index Name]
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
JUN76288
WEE1-IN-3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 702.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±35.7 °C
Index of Refraction: 1.715
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 30.59
Polar Surface Area: 98 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 81.1±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

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