N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide

• ChemBase ID: 524544
• Molecular Formular: C18H24N8O2
• Molecular Mass: 384.43556
• Monoisotopic Mass: 384.20222205
• SMILES: c1(n(nnn1)CCC(=O)NCc1nc2n(c1)cc(cc2)C)CN1CCOCC1
• Canonical SMILES: O=C(CCn1nnnc1CN1CCOCC1)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H24N8O2/c1-14-2-3-16-20-15(12-25(16)11-14)10-19-18(27)4-5-26-17(21-22-23-26)13-24-6-8-28-9-7-24/h2-3,11-12H,4-10,13H2,1H3,(H,19,27)
• InChIKey: COKFWYOQARGVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.078634
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.4036254
• LogD (pH = 7.4): -0.6417833
• Log P: -0.61382604
• Molar Refractivity: 116.9917 cm^3
• Polarizability: 39.03443 Å^3
• Polar Surface Area: 102.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.51
• LOG S: -2.88
• Polar Surface Area: 102.47 Å^2
• Rotatable Bonds: 7