(2S)-2-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pentanediamide

• ChemBase ID: 379835
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)[C@@H](NC(=O)C)CCC(=O)N
• Canonical SMILES: CC(=O)N[C@H](C(=O)Nc1cnc2n1CCCC2)CCC(=O)N
• InChI: InChI=1S/C14H21N5O3/c1-9(20)17-10(5-6-11(15)21)14(22)18-13-8-16-12-4-2-3-7-19(12)13/h8,10H,2-7H2,1H3,(H2,15,21)(H,17,20)(H,18,22)/t10-/m0/s1
• InChIKey: VZGWLIULMPIPNV-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pentanediamide
• IUPAC Traditional name: (2S)-2-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pentanediamide
• Synonyms: N~2~-acetyl-N~1~-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-L-glutamamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.466479
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1692128
• LogD (pH = 7.4): -1.5260613
• Log P: -1.4965227
• Molar Refractivity: 79.8728 cm^3
• Polarizability: 30.231544 Å^3
• Polar Surface Area: 119.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.43
• LOG S: -1.53
• Polar Surface Area: 119.11 Å^2
• Rotatable Bonds: 6