N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-2-(pyridin-4-yl)pyrimidine-5-carboxamide

• ChemBase ID: 764200
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: n1c(c(C(=O)NCCCn2c(C3CC3)ccn2)cnc1c1ccncc1)O
• Canonical SMILES: O=C(c1cnc(nc1O)c1ccncc1)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C19H20N6O2/c26-18(21-7-1-11-25-16(6-10-23-25)13-2-3-13)15-12-22-17(24-19(15)27)14-4-8-20-9-5-14/h4-6,8-10,12-13H,1-3,7,11H2,(H,21,26)(H,22,24,27)
• InChIKey: ASIQKSUQWWJJII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-2-(pyridin-4-yl)pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-4-hydroxy-2-(pyridin-4-yl)pyrimidine-5-carboxamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-2-pyridin-4-ylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.782985
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.9432244
• LogD (pH = 7.4): 1.9449898
• Log P: 1.9451894
• Molar Refractivity: 122.4469 cm^3
• Polarizability: 38.024406 Å^3
• Polar Surface Area: 105.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.56
• LOG S: -3.19
• Polar Surface Area: 105.82 Å^2
• Rotatable Bonds: 7