N-cyclopropyl-1-[2-(2H-indazol-2-yl)acetyl]piperazine-2-carboxamide

• ChemBase ID: 467829
• Molecular Formular: C17H21N5O2
• Molecular Mass: 327.38094
• Monoisotopic Mass: 327.16952494
• SMILES: N1(C(C(=O)NC2CC2)CNCC1)C(=O)Cn1nc2c(c1)cccc2
• Canonical SMILES: O=C(C1CNCCN1C(=O)Cn1cc2c(n1)cccc2)NC1CC1
• InChI: InChI=1S/C17H21N5O2/c23-16(11-21-10-12-3-1-2-4-14(12)20-21)22-8-7-18-9-15(22)17(24)19-13-5-6-13/h1-4,10,13,15,18H,5-9,11H2,(H,19,24)
• InChIKey: UPFQJVXGUVDXQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[2-(2H-indazol-2-yl)acetyl]piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[2-(indazol-2-yl)acetyl]piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-(2H-indazol-2-ylacetyl)-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.173422
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6416197
• LogD (pH = 7.4): -0.23551348
• Log P: -0.068864994
• Molar Refractivity: 99.2552 cm^3
• Polarizability: 35.54651 Å^3
• Polar Surface Area: 79.26 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: 0.8
• LOG S: -2.27
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4