N-{1-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

• ChemBase ID: 666179
• Molecular Formular: C19H24N6OS
• Molecular Mass: 384.49846
• Monoisotopic Mass: 384.17323042
• SMILES: c12n(c(c(n1)C)CN1CCC(n3c(NC(=O)C4CC4)ccn3)CC1)ccs2
• Canonical SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)Cc1c(C)nc2n1ccs2
• InChI: InChI=1S/C19H24N6OS/c1-13-16(24-10-11-27-19(24)21-13)12-23-8-5-15(6-9-23)25-17(4-7-20-25)22-18(26)14-2-3-14/h4,7,10-11,14-15H,2-3,5-6,8-9,12H2,1H3,(H,22,26)
• InChIKey: AJCBKVZPGBCWOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
• IUPAC Traditional name: N-{2-[1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperidin-4-yl]pyrazol-3-yl}cyclopropanecarboxamide
• Synonyms: N-(1-{1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.16
• LOG S: -5.17
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 1

JChem

• Molar Refractivity: 128.464 cm^3
• Polarizability: 39.77081 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.441415
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0547134
• LogD (pH = 7.4): 0.6535594
• Log P: 1.130559