2,5-dimethyl-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 752122
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n12c(nc(cc1NCc1cc(N3CCCC3)ccc1)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NCc1cccc(c1)N1CCCC1)C
• InChI: InChI=1S/C19H23N5/c1-14-10-18(24-19(21-14)11-15(2)22-24)20-13-16-6-5-7-17(12-16)23-8-3-4-9-23/h5-7,10-12,20H,3-4,8-9,13H2,1-2H3
• InChIKey: MOWCCXGKNUMBLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-N-{[3-(pyrrolidin-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-N-[3-(1-pyrrolidinyl)benzyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.622233
• LogD (pH = 7.4): 2.7147803
• Log P: 2.7160966
• Molar Refractivity: 108.9859 cm^3
• Polarizability: 36.258175 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.32
• LOG S: -4.38
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 4