N-[(3R,4S)-4-cyclopropyl-1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 563308
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: c1(c2n(nc1)cccc2)C(=O)N[C@@H]1[C@H](CN(C(=O)c2occc2)C1)C1CC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)N[C@H]1CN(C[C@@H]1C1CC1)C(=O)c1ccco1
• InChI: InChI=1S/C20H20N4O3/c25-19(14-10-21-24-8-2-1-4-17(14)24)22-16-12-23(11-15(16)13-6-7-13)20(26)18-5-3-9-27-18/h1-5,8-10,13,15-16H,6-7,11-12H2,(H,22,25)/t15-,16+/m1/s1
• InChIKey: AGJMWWQEKLJYGK-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-cyclopropyl-1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(3R,4S)-4-cyclopropyl-1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(3R*,4S*)-4-cyclopropyl-1-(2-furoyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.69731
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4328358
• LogD (pH = 7.4): 1.4328463
• Log P: 1.4328465
• Molar Refractivity: 109.6351 cm^3
• Polarizability: 37.54932 Å^3
• Polar Surface Area: 79.85 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: 1.47
• LOG S: -3.11
• Polar Surface Area: 79.85 Å^2
• Rotatable Bonds: 4