4-{5-[(4-fluoro-3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine

• ChemBase ID: 369046
• Molecular Formular: C25H28FN5O3
• Molecular Mass: 465.5199232
• Monoisotopic Mass: 465.217618
• SMILES: c1(c2c(n(n1)Cc1ncccc1)CCN(C2)Cc1cc(c(cc1)F)OC)C(=O)N1CCOCC1
• Canonical SMILES: COc1cc(ccc1F)CN1CCc2c(C1)c(nn2Cc1ccccn1)C(=O)N1CCOCC1
• InChI: InChI=1S/C25H28FN5O3/c1-33-23-14-18(5-6-21(23)26)15-29-9-7-22-20(17-29)24(25(32)30-10-12-34-13-11-30)28-31(22)16-19-4-2-3-8-27-19/h2-6,8,14H,7,9-13,15-17H2,1H3
• InChIKey: RPBHEOXROFCZHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[(4-fluoro-3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{5-[(4-fluoro-3-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}morpholine
• Synonyms: 5-(4-fluoro-3-methoxybenzyl)-3-(4-morpholinylcarbonyl)-1-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.9209975
• LogD (pH = 7.4): 1.8021249
• Log P: 1.8368095
• Molar Refractivity: 137.6016 cm^3
• Polarizability: 47.654835 Å^3
• Polar Surface Area: 72.72 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: 1.33
• LOG S: -3.11
• Polar Surface Area: 72.72 Å^2
• Rotatable Bonds: 5