N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide

• ChemBase ID: 633166
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: c12n(c(cn1)CNC(=O)CCc1c3c(n[nH]1)CCCC3)cccc2C
• Canonical SMILES: O=C(NCc1cnc2n1cccc2C)CCc1[nH]nc2c1CCCC2
• InChI: InChI=1S/C19H23N5O/c1-13-5-4-10-24-14(12-21-19(13)24)11-20-18(25)9-8-17-15-6-2-3-7-16(15)22-23-17/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,20,25)(H,22,23)
• InChIKey: YWTSVDVBQGVBSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.242131
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0473304
• LogD (pH = 7.4): 1.7668488
• Log P: 1.8109432
• Molar Refractivity: 98.8725 cm^3
• Polarizability: 36.50319 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.59
• LOG S: -3.02
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 5