N,2,3-trimethyl-N-[(1-methylpiperidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 433552
• Molecular Formular: C22H29N5
• Molecular Mass: 363.49916
• Monoisotopic Mass: 363.24229595
• SMILES: n12c(nc(cc1N(CC1N(C)CCCC1)C)c1ccccc1)c(c(n2)C)C
• Canonical SMILES: CN1CCCCC1CN(c1cc(nc2n1nc(c2C)C)c1ccccc1)C
• InChI: InChI=1S/C22H29N5/c1-16-17(2)24-27-21(26(4)15-19-12-8-9-13-25(19)3)14-20(23-22(16)27)18-10-6-5-7-11-18/h5-7,10-11,14,19H,8-9,12-13,15H2,1-4H3
• InChIKey: KXPTZQOXTSLKGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3-trimethyl-N-[(1-methylpiperidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,3-trimethyl-N-[(1-methylpiperidin-2-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,3-trimethyl-N-[(1-methyl-2-piperidinyl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2399967
• LogD (pH = 7.4): 2.8183088
• Log P: 4.4569526
• Molar Refractivity: 121.6837 cm^3
• Polarizability: 43.57822 Å^3
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.49
• LOG S: -4.68
• Polar Surface Area: 36.67 Å^2
• Rotatable Bonds: 4