N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]butanamide

• ChemBase ID: 825791
• Molecular Formular: C19H26N8O2
• Molecular Mass: 398.46214
• Monoisotopic Mass: 398.21787211
• SMILES: c1(n(nnn1)CCCC(=O)NCc1nc2n(c1)ccc(c2)C)CN1CCOCC1
• Canonical SMILES: O=C(NCc1cn2c(n1)cc(cc2)C)CCCn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C19H26N8O2/c1-15-4-6-26-13-16(21-17(26)11-15)12-20-19(28)3-2-5-27-18(22-23-24-27)14-25-7-9-29-10-8-25/h4,6,11,13H,2-3,5,7-10,12,14H2,1H3,(H,20,28)
• InChIKey: XOYNNEQMRBRXGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]butanamide
• IUPAC Traditional name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]butanamide
• Synonyms: N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.077116
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.9284467
• LogD (pH = 7.4): -0.3408638
• Log P: -0.32516482
• Molar Refractivity: 121.7467 cm^3
• Polarizability: 40.868774 Å^3
• Polar Surface Area: 102.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: 0.14
• LOG S: -2.28
• Polar Surface Area: 102.47 Å^2
• Rotatable Bonds: 8