N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 829924
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC[C@@H]1Oc2c(CC1)cccc2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NC[C@H]1CCc2c(O1)cccc2
• InChI: InChI=1S/C18H21N3O2/c22-18(15-12-20-21-10-4-3-6-16(15)21)19-11-14-9-8-13-5-1-2-7-17(13)23-14/h1-2,5,7,12,14H,3-4,6,8-11H2,(H,19,22)/t14-/m1/s1
• InChIKey: QUZFGSCCTPHIBB-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(2R)-3,4-dihydro-2H-1-benzopyran-2-ylmethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(2R)-3,4-dihydro-2H-chromen-2-ylmethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.684425
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3567772
• LogD (pH = 7.4): 2.3568149
• Log P: 2.3568156
• Molar Refractivity: 99.6126 cm^3
• Polarizability: 33.290237 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.71
• LOG S: -3.79
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3