N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

• ChemBase ID: 316657
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: C1(C(=O)N(C2CC2)Cc2cn(nc2)C)CN(C(=O)C1)Cc1ccncc1
• Canonical SMILES: Cn1ncc(c1)CN(C(=O)C1CN(C(=O)C1)Cc1ccncc1)C1CC1
• InChI: InChI=1S/C19H23N5O2/c1-22-10-15(9-21-22)12-24(17-2-3-17)19(26)16-8-18(25)23(13-16)11-14-4-6-20-7-5-14/h4-7,9-10,16-17H,2-3,8,11-13H2,1H3
• InChIKey: MUIGZYVMKOGOPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-oxo-1-(4-pyridinylmethyl)-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3218575
• LogD (pH = 7.4): -0.21379396
• Log P: -0.21217334
• Molar Refractivity: 108.039 cm^3
• Polarizability: 36.98293 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.22
• LOG S: -0.74
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 6