5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[2-(pyridin-2-yl)ethyl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 686800
• Molecular Formular: C24H24N6O2
• Molecular Mass: 428.48636
• Monoisotopic Mass: 428.19607404
• SMILES: c1(c(n(c2nc(c3oc(cc3)C)ccn2)nc1)C1CC1)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: Cc1ccc(o1)c1ccnc(n1)n1ncc(c1C1CC1)C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C24H24N6O2/c1-16-6-9-21(32-16)20-10-13-26-24(28-20)30-22(17-7-8-17)19(15-27-30)23(31)29(2)14-11-18-5-3-4-12-25-18/h3-6,9-10,12-13,15,17H,7-8,11,14H2,1-2H3
• InChIKey: SBWKGLIIKYFKHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[2-(pyridin-2-yl)ethyl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-methyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]-N-[2-(pyridin-2-yl)ethyl]pyrazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N-methyl-1-[4-(5-methyl-2-furyl)-2-pyrimidinyl]-N-[2-(2-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8098524
• LogD (pH = 7.4): 2.8532474
• Log P: 2.853832
• Molar Refractivity: 121.1826 cm^3
• Polarizability: 46.321663 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.42
• LOG S: -6.1
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 7