N-[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 500766
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(CN1Cc2c(CC1)cccc2)C
• Canonical SMILES: CC(NC(=O)c1cccc2n1ncc2)CN1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H22N4O/c1-15(13-23-12-10-16-5-2-3-6-17(16)14-23)22-20(25)19-8-4-7-18-9-11-21-24(18)19/h2-9,11,15H,10,12-14H2,1H3,(H,22,25)
• InChIKey: FSZPMLNJUSFWML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-methylethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.774609
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.40786245
• LogD (pH = 7.4): 2.1415265
• Log P: 2.6970816
• Molar Refractivity: 110.1906 cm^3
• Polarizability: 38.1596 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.34
• LOG S: -3.64
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4