N-cyclopentyl-3-{[(1H-indazol-7-yl)carbamoyl]methyl}morpholine-4-carboxamide

• ChemBase ID: 841812
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: C(=O)(N1C(CC(=O)Nc2c3[nH]ncc3ccc2)COCC1)NC1CCCC1
• Canonical SMILES: O=C(Nc1cccc2c1[nH]nc2)CC1COCCN1C(=O)NC1CCCC1
• InChI: InChI=1S/C19H25N5O3/c25-17(22-16-7-3-4-13-11-20-23-18(13)16)10-15-12-27-9-8-24(15)19(26)21-14-5-1-2-6-14/h3-4,7,11,14-15H,1-2,5-6,8-10,12H2,(H,20,23)(H,21,26)(H,22,25)
• InChIKey: NHYGGBYOXNIGDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-{[(1H-indazol-7-yl)carbamoyl]methyl}morpholine-4-carboxamide
• IUPAC Traditional name: N-cyclopentyl-3-{[(1H-indazol-7-yl)carbamoyl]methyl}morpholine-4-carboxamide
• Synonyms: N-cyclopentyl-3-[2-(1H-indazol-7-ylamino)-2-oxoethyl]-4-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.569527
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.9754901
• LogD (pH = 7.4): 0.9752357
• Log P: 0.97552264
• Molar Refractivity: 102.067 cm^3
• Polarizability: 39.526127 Å^3
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.41
• LOG S: -3.11
• Polar Surface Area: 99.35 Å^2
• Rotatable Bonds: 4