dimethyl({4-methyl-5-[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)amine

• ChemBase ID: 833352
• Molecular Formular: C20H29N7
• Molecular Mass: 367.49116
• Monoisotopic Mass: 367.24844396
• SMILES: n1(c(nnc1CN(C)C)C1CN(Cc2nc(n3c2cccc3)C)CCC1)C
• Canonical SMILES: CN(Cc1nnc(n1C)C1CCCN(C1)Cc1nc(n2c1cccc2)C)C
• InChI: InChI=1S/C20H29N7/c1-15-21-17(18-9-5-6-11-27(15)18)13-26-10-7-8-16(12-26)20-23-22-19(25(20)4)14-24(2)3/h5-6,9,11,16H,7-8,10,12-14H2,1-4H3
• InChIKey: MBMWTGIPWUTKTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({4-methyl-5-[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)amine
• IUPAC Traditional name: dimethyl({4-methyl-5-[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]-1,2,4-triazol-3-yl}methyl)amine
• Synonyms: N,N-dimethyl-1-(4-methyl-5-{1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.0249932
• LogD (pH = 7.4): -0.6074808
• Log P: 0.26533103
• Molar Refractivity: 110.8182 cm^3
• Polarizability: 41.829697 Å^3
• Polar Surface Area: 54.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.89
• LOG S: -1.63
• Polar Surface Area: 54.49 Å^2
• Rotatable Bonds: 5