About 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one
5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one (PubChem CID 177215157) has the molecular formula C41H42ClF3N8O4
and a molecular weight of 803.29 g/mol. Its IUPAC name is 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one.
Analyze 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one (CID 177215157) is 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one is COCCN1CCC2(CCN(C3CCc4cc(-c5cccc(-c6cccc(Nc7nc(C(F)(F)F)cc8cnn(C)c(=O)c78)c6C)c5Cl)nc(OC)c43)C2)NC1=O.
What is the InChIKey of 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one?
The InChIKey is JHPZUCYUTWHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42ClF3N8O4/c1-23-26(7-6-10-29(23)47-36-34-25(21-46-51(2)38(34)54)20-32(49-36)41(43,44)45)27-8-5-9-28(35(27)42)30-19-24-11-12-31(33(24)37(48-30)57-4)53-16-14-40(22-53)13-15-52(17-18-56-3)39(55)50-40/h5-10,19-21,31H,11-18,22H2,1-4H3,(H,47,49)(H,50,55).
What are the key properties of 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one?
5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one has a molecular weight of 803.29 g/mol, XLogP of 7.28, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-chloro-3-[1-methoxy-7-[8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 177215157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).