4-{5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine

• ChemBase ID: 478974
• Molecular Formular: C24H27N5O3
• Molecular Mass: 433.50288
• Monoisotopic Mass: 433.21138975
• SMILES: c1(c2c(n(n1)Cc1ncccc1)CCN(C2)C/C=C/c1occc1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(C/C=C/c1ccco1)CC2)Cc1ccccn1)N1CCOCC1
• InChI: InChI=1S/C24H27N5O3/c30-24(28-12-15-31-16-13-28)23-21-18-27(10-3-6-20-7-4-14-32-20)11-8-22(21)29(26-23)17-19-5-1-2-9-25-19/h1-7,9,14H,8,10-13,15-18H2/b6-3+
• InChIKey: JKQKMAMGQPHBPP-ZZXKWVIFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{5-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-1-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• Synonyms: 5-[(2E)-3-(2-furyl)-2-propen-1-yl]-3-(4-morpholinylcarbonyl)-1-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.49771166
• LogD (pH = 7.4): 1.4765868
• Log P: 1.5219411
• Molar Refractivity: 133.6315 cm^3
• Polarizability: 45.83699 Å^3
• Polar Surface Area: 76.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.11
• LOG S: -3.09
• Polar Surface Area: 76.63 Å^2
• Rotatable Bonds: 6