1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 587483
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1CC(N2CCCC2)CCC1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)N1CCCC(C1)N1CCCC1
• InChI: InChI=1S/C18H25N5O/c1-13-10-17-19-16(11-14(2)23(17)20-13)18(24)22-9-5-6-15(12-22)21-7-3-4-8-21/h10-11,15H,3-9,12H2,1-2H3
• InChIKey: FHPHKMVWSQQWDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 2,7-dimethyl-5-{[3-(1-pyrrolidinyl)-1-piperidinyl]carbonyl}pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5155723
• LogD (pH = 7.4): 0.16750556
• Log P: 1.5577534
• Molar Refractivity: 104.7859 cm^3
• Polarizability: 35.40077 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.78
• LOG S: -2.25
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2