About 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 158067110) has the molecular formula C139H177F4N21O15S5
and a molecular weight of 2618.40 g/mol. Its IUPAC name is 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 158067110) is 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(SCCc3ccc(F)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)N1.CC1CN(c2nc(SCCc3ccc(N)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NC(=O)CCC(=O)O)cc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.COCCN1C(C)CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.
What is the InChIKey of 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FLJBODVEBNKLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N5O4S.C29H36N4O5S.C27H31F3N4O3S.C25H31FN4OS.C25H32N4O2S/c1-22-19-37(20-23(2)38(22)14-15-40-8)29-28-21-41-33(6,7)17-26(28)27(18-34)30(36-29)43-16-13-24-9-11-25(12-10-24)35-31(39)42-32(3,4)5;1-18-15-33(16-19(2)38-18)27-24-17-37-29(3,4)13-22(24)23(14-30)28(32-27)39-12-11-20-5-7-21(8-6-20)31-25(34)9-10-26(35)36;1-16-13-34(14-17(2)37-16)23-22-15-36-26(3,4)11-20(22)21(12-31)24(33-23)38-10-9-18-5-7-19(8-6-18)32-25(35)27(28,29)30;1-16-13-30(14-17(2)28-16)23-22-15-31-25(3,4)11-20(22)21(12-27)24(29-23)32-10-9-18-5-7-19(26)8-6-18;1-16-13-29(14-17(2)31-16)23-22-15-30-25(3,4)11-20(22)21(12-26)24(28-23)32-10-9-18-5-7-19(27)8-6-18/h9-12,22-23H,13-17,19-21H2,1-8H3,(H,35,39);5-8,18-19H,9-13,15-17H2,1-4H3,(H,31,34)(H,35,36);5-8,16-17H,9-11,13-15H2,1-4H3,(H,32,35);5-8,16-17,28H,9-11,13-15H2,1-4H3;5-8,16-17H,9-11,13-15,27H2,1-4H3.
What are the key properties of 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 2618.40 g/mol, XLogP of 24.64, 34 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;4-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]anilino]-4-oxobutanoic acid;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-2,2,2-trifluoroacetamide;8-(3,5-dimethylpiperazin-1-yl)-6-[2-(4-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 158067110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).