N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 830268
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: c12nc(cn1cccn2)C(NC(=O)CC1CCN(CC1)C(C)C)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)NC(=O)CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C19H29N5O/c1-4-16(17-13-24-9-5-8-20-19(24)22-17)21-18(25)12-15-6-10-23(11-7-15)14(2)3/h5,8-9,13-16H,4,6-7,10-12H2,1-3H3,(H,21,25)
• InChIKey: OICRHEKXCLLBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(1-isopropyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.817755
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9624277
• LogD (pH = 7.4): -0.5513103
• Log P: 1.3732787
• Molar Refractivity: 100.6713 cm^3
• Polarizability: 38.349148 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.56
• LOG S: -3.04
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6