dimethyl({[4-methyl-5-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl})amine

• ChemBase ID: 685450
• Molecular Formular: C19H29N7O
• Molecular Mass: 371.47986
• Monoisotopic Mass: 371.24335858
• SMILES: c1(C(=O)N2CCC(c3n(c(nn3)CN(C)C)C)CC2)c2n(nc1)CCCC2
• Canonical SMILES: CN(Cc1nnc(n1C)C1CCN(CC1)C(=O)c1cnn2c1CCCC2)C
• InChI: InChI=1S/C19H29N7O/c1-23(2)13-17-21-22-18(24(17)3)14-7-10-25(11-8-14)19(27)15-12-20-26-9-5-4-6-16(15)26/h12,14H,4-11,13H2,1-3H3
• InChIKey: DHHGVIZYEJDWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[4-methyl-5-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl})amine
• IUPAC Traditional name: dimethyl({[4-methyl-5-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)-1,2,4-triazol-3-yl]methyl})amine
• Synonyms: N,N-dimethyl-1-{4-methyl-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0946285
• LogD (pH = 7.4): -0.107037485
• Log P: -0.055697694
• Molar Refractivity: 118.5506 cm^3
• Polarizability: 39.295177 Å^3
• Polar Surface Area: 72.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.23
• LOG S: -3.02
• Polar Surface Area: 72.08 Å^2
• Rotatable Bonds: 4