1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-N-[4-(propan-2-yl)phenyl]piperidin-3-amine

• ChemBase ID: 429509
• Molecular Formular: C23H29N5O
• Molecular Mass: 391.50926
• Monoisotopic Mass: 391.23721057
• SMILES: c12n(nc(c1)C(=O)N1CC(Nc3ccc(cc3)C(C)C)CCC1)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)C(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C23H29N5O/c1-15(2)18-7-9-19(10-8-18)25-20-6-5-11-27(14-20)23(29)21-13-22-24-16(3)12-17(4)28(22)26-21/h7-10,12-13,15,20,25H,5-6,11,14H2,1-4H3
• InChIKey: BFMCMVMCSVSBOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: 1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-N-(4-isopropylphenyl)piperidin-3-amine
• Synonyms: 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-N-(4-isopropylphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5523376
• LogD (pH = 7.4): 3.6513975
• Log P: 3.6528196
• Molar Refractivity: 127.6994 cm^3
• Polarizability: 43.414616 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.46
• LOG S: -6.94
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3