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

• ChemBase ID: 640249
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC1CCN(Cc2occc2)CC1
• Canonical SMILES: CC(c1cc(NC2CCN(CC2)Cc2ccco2)n2c(n1)ccn2)C
• InChI: InChI=1S/C19H25N5O/c1-14(2)17-12-19(24-18(22-17)5-8-20-24)21-15-6-9-23(10-7-15)13-16-4-3-11-25-16/h3-5,8,11-12,14-15,21H,6-7,9-10,13H2,1-2H3
• InChIKey: KCYLWSNKKIWZBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14008613
• LogD (pH = 7.4): 1.6308521
• Log P: 2.40146
• Molar Refractivity: 109.4682 cm^3
• Polarizability: 37.269897 Å^3
• Polar Surface Area: 58.6 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: 2.98
• LOG S: -3.21
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 5