N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 597096
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n12c(nc(cc1NCC1CN(Cc3occc3)CCC1)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NCC1CCCN(C1)Cc1ccco1)C
• InChI: InChI=1S/C19H25N5O/c1-14-9-18(24-19(21-14)10-15(2)22-24)20-11-16-5-3-7-23(12-16)13-17-6-4-8-25-17/h4,6,8-10,16,20H,3,5,7,11-13H2,1-2H3
• InChIKey: PEGWQQXXZJENAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[1-(furan-2-ylmethyl)piperidin-3-yl]methyl}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{[1-(2-furylmethyl)-3-piperidinyl]methyl}-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0719464
• LogD (pH = 7.4): 0.6820903
• Log P: 1.7914654
• Molar Refractivity: 109.5775 cm^3
• Polarizability: 37.19126 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: 2.9
• LOG S: -3.14
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 5