3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine

• ChemBase ID: 369903
• Molecular Formular: C20H25N7O
• Molecular Mass: 379.4588
• Monoisotopic Mass: 379.21205846
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC(Cn2nnc(c2)C2CCCC2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCCC(C1)Cn1nnc(c1)C1CCCC1
• InChI: InChI=1S/C20H25N7O/c28-19(18-13-26-10-4-8-21-20(26)22-18)25-9-3-5-15(11-25)12-27-14-17(23-24-27)16-6-1-2-7-16/h4,8,10,13-16H,1-3,5-7,9,11-12H2
• InChIKey: FHGORRZYJHYCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-1-{imidazo[1,2-a]pyrimidine-2-carbonyl}piperidine
• Synonyms: 2-({3-[(4-cyclopentyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6504496
• LogD (pH = 7.4): 1.6504654
• Log P: 1.6504655
• Molar Refractivity: 117.9827 cm^3
• Polarizability: 39.525677 Å^3
• Polar Surface Area: 81.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.19
• LOG S: -2.98
• Polar Surface Area: 81.21 Å^2
• Rotatable Bonds: 5