About (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide
(4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 176733803) has the molecular formula C40H39F4N7O4
and a molecular weight of 757.79 g/mol. Its IUPAC name is (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide.
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Frequently Asked Questions
What is the IUPAC name of (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide (CID 176733803) is (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide is CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@@H](C#N)CCN3CC4CCC(C3)O4)nn(-c3ccccc3)c21.
What is the InChIKey of (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is IQNKFFYOLXMRRP-BZDJXQFZSA-N. The full InChI is InChI=1S/C40H39F4N7O4/c1-3-50-37-33(32(24-12-14-27(41)15-13-24)34(39(50)54)46-36(52)25-8-7-9-26(20-25)40(42,43)44)35(47-51(37)28-10-5-4-6-11-28)38(53)48(2)29(21-45)18-19-49-22-30-16-17-31(23-49)55-30/h4-15,20,29-32,34H,3,16-19,22-23H2,1-2H3,(H,46,52)/t29-,30?,31?,32+,34+/m1/s1.
What are the key properties of (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide?
(4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 757.79 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-[(1R)-1-cyano-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]-7-ethyl-4-(4-fluorophenyl)-N-methyl-6-oxo-1-phenyl-5-[[3-(trifluoromethyl)benzoyl]amino]-4,5-dihydropyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 176733803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).