N-{1-[7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl}pyridin-2-amine

• ChemBase ID: 337466
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: c12n(c(cc(n1)C(=O)N1CCC(Nc3ncccc3)CC1)C(C)C)ncn2
• Canonical SMILES: O=C(c1cc(C(C)C)n2c(n1)ncn2)N1CCC(CC1)Nc1ccccn1
• InChI: InChI=1S/C19H23N7O/c1-13(2)16-11-15(24-19-21-12-22-26(16)19)18(27)25-9-6-14(7-10-25)23-17-5-3-4-8-20-17/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,20,23)
• InChIKey: RTVQSCUOZUCIIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[7-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl}pyridin-2-amine
• IUPAC Traditional name: N-(1-{7-isopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl}piperidin-4-yl)pyridin-2-amine
• Synonyms: N-{1-[(7-isopropyl[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)carbonyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.6541319
• LogD (pH = 7.4): 1.5804241
• Log P: 1.6428976
• Molar Refractivity: 116.1214 cm^3
• Polarizability: 38.142845 Å^3
• Polar Surface Area: 88.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.41
• LOG S: -2.21
• Polar Surface Area: 88.31 Å^2
• Rotatable Bonds: 4