N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 545646
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c(nc2c(c1)CCC2)OC)C(=O)NCCCn1c(C2CC2)ccn1
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C19H24N4O2/c1-25-19-15(12-14-4-2-5-16(14)22-19)18(24)20-9-3-11-23-17(8-10-21-23)13-6-7-13/h8,10,12-13H,2-7,9,11H2,1H3,(H,20,24)
• InChIKey: MKVLHKIDYJAUGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.435585
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.060315
• LogD (pH = 7.4): 2.061138
• Log P: 2.061149
• Molar Refractivity: 107.3112 cm^3
• Polarizability: 36.08525 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.15
• LOG S: -4.37
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 7