1-(furan-2-carbonyl)-N-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-amine

• ChemBase ID: 633705
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC1CN(C(=O)c2occc2)CCC1
• Canonical SMILES: CC(c1cc(NC2CCCN(C2)C(=O)c2ccco2)n2c(n1)ccn2)C
• InChI: InChI=1S/C19H23N5O2/c1-13(2)15-11-18(24-17(22-15)7-8-20-24)21-14-5-3-9-23(12-14)19(25)16-6-4-10-26-16/h4,6-8,10-11,13-14,21H,3,5,9,12H2,1-2H3
• InChIKey: BETYCEREZMLHSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-N-[5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-amine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-N-{5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-3-amine
• Synonyms: N-[1-(2-furoyl)piperidin-3-yl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2154124
• LogD (pH = 7.4): 2.215458
• Log P: 2.2154586
• Molar Refractivity: 109.5765 cm^3
• Polarizability: 36.771904 Å^3
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.5
• LOG S: -3.91
• Polar Surface Area: 75.67 Å^2
• Rotatable Bonds: 4