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Search term: CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(=O)NCc2ccnc(C)c2)cc1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 1-Methyl-8-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide | C29H33N9O

1-Methyl-8-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

  • Molecular FormulaC29H33N9O
  • Average mass523.632 Da
  • Monoisotopic mass523.280823 Da
  • ChemSpider ID25043171

More details:






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

1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-methyl-8-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-N-[(2-methyl-4-pyridinyl)methyl]- [ACD/Index Name]
1-Methyl-8-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-8-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-N-[(2-methyl-4-pyridinyl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [ACD/IUPAC Name]
1-Méthyl-8-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-N-[(2-méthyl-4-pyridinyl)méthyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [French] [ACD/IUPAC Name]
1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-N-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-H]quinazoline-3-carboxamide
MH4

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 109.07
Polar Surface Area: 104 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

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