N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 848576
• Molecular Formular: C22H29N5
• Molecular Mass: 363.49916
• Monoisotopic Mass: 363.24229595
• SMILES: n12c(cc(nc1ccn2)CCC)N(CC1CN(Cc2ccccc2)CC1)C
• Canonical SMILES: CCCc1cc(N(CC2CCN(C2)Cc2ccccc2)C)n2c(n1)ccn2
• InChI: InChI=1S/C22H29N5/c1-3-7-20-14-22(27-21(24-20)10-12-23-27)25(2)15-19-11-13-26(17-19)16-18-8-5-4-6-9-18/h4-6,8-10,12,14,19H,3,7,11,13,15-17H2,1-2H3
• InChIKey: LKGRSVRMXACRPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.63220835
• LogD (pH = 7.4): 2.0992029
• Log P: 3.93565
• Molar Refractivity: 121.4568 cm^3
• Polarizability: 42.265915 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.14
• LOG S: -4.38
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 7