N-(1H-indazol-7-yl)-4-[3-(morpholin-4-yl)-3-oxopropyl]piperidine-1-carboxamide

• ChemBase ID: 401441
• Molecular Formular: C20H27N5O3
• Molecular Mass: 385.46008
• Monoisotopic Mass: 385.21138975
• SMILES: C(=O)(N1CCC(CCC(=O)N2CCOCC2)CC1)Nc1c2[nH]ncc2ccc1
• Canonical SMILES: O=C(N1CCC(CC1)CCC(=O)N1CCOCC1)Nc1cccc2c1[nH]nc2
• InChI: InChI=1S/C20H27N5O3/c26-18(24-10-12-28-13-11-24)5-4-15-6-8-25(9-7-15)20(27)22-17-3-1-2-16-14-21-23-19(16)17/h1-3,14-15H,4-13H2,(H,21,23)(H,22,27)
• InChIKey: KYDALOICHRZJSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-7-yl)-4-[3-(morpholin-4-yl)-3-oxopropyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(1H-indazol-7-yl)-4-[3-(morpholin-4-yl)-3-oxopropyl]piperidine-1-carboxamide
• Synonyms: N-1H-indazol-7-yl-4-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.485629
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7759841
• LogD (pH = 7.4): 0.7756668
• Log P: 0.7760145
• Molar Refractivity: 107.6543 cm^3
• Polarizability: 41.363968 Å^3
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.8
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 4