N-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 822804
• Molecular Formular: C20H26N6
• Molecular Mass: 350.46064
• Monoisotopic Mass: 350.22189486
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC1CCN(Cc2cnccc2)CC1
• Canonical SMILES: CC(c1cc(NC2CCN(CC2)Cc2cccnc2)n2c(n1)ccn2)C
• InChI: InChI=1S/C20H26N6/c1-15(2)18-12-20(26-19(24-18)5-9-22-26)23-17-6-10-25(11-7-17)14-16-4-3-8-21-13-16/h3-5,8-9,12-13,15,17,23H,6-7,10-11,14H2,1-2H3
• InChIKey: NJVDCGJVQUIUPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}-1-(pyridin-3-ylmethyl)piperidin-4-amine
• Synonyms: 5-isopropyl-N-[1-(3-pyridinylmethyl)-4-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.39881402
• LogD (pH = 7.4): 1.370873
• Log P: 2.1235409
• Molar Refractivity: 114.9204 cm^3
• Polarizability: 39.508736 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.32
• LOG S: -1.43
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 5