About 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (PubChem CID 167667323) has the molecular formula C98H95ClF12N14O10
and a molecular weight of 1892.35 g/mol. Its IUPAC name is 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.
Frequently Asked Questions
What is the IUPAC name of 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The IUPAC name of 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one (CID 167667323) is 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one.
What is the SMILES notation for 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The canonical SMILES for 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is C=CC(=O)N1CC2CN(C(F)(F)F)c3c(c4cc(F)c(-c5c(O)cccc5F)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CN(CF)c3c(c4cc(F)c(-c5c(O)cccc5F)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(O)cccc5F)c(F)c4n(CC4CCCN4C)c3=O)N2CC1C.
What is the InChIKey of 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
The InChIKey is SVCZJNVMTGQYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F6N5O3.C34H33F4N5O3.C30H31ClF2N4O4/c1-6-24(47)42-14-19-15-44(34(38,39)40)32-31(43(19)13-18(42)5)20-12-22(36)26(25-21(35)8-7-9-23(25)46)27(37)30(20)45(33(32)48)29-17(4)10-11-41-28(29)16(2)3;1-6-25(45)41-15-20-14-40(16-35)33-32(42(20)13-19(41)5)21-12-23(37)27(26-22(36)8-7-9-24(26)44)28(38)31(21)43(34(33)46)30-18(4)10-11-39-29(30)17(2)3;1-4-23(39)35-14-18-15-41-29-28(36(18)12-16(35)2)19-11-20(31)24(25-21(32)8-5-9-22(25)38)26(33)27(19)37(30(29)40)13-17-7-6-10-34(17)3/h6-12,16,18-19,46H,1,13-15H2,2-5H3;6-12,17,19-20,44H,1,13-16H2,2-5H3;4-5,8-9,11,16-18,38H,1,6-7,10,12-15H2,2-3H3.
What are the key properties of 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one?
16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one has a molecular weight of 1892.35 g/mol, XLogP of 16.87, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-[(1-methylpyrrolidin-2-yl)methyl]-5-prop-2-enoyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-9-(fluoromethyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-9-(trifluoromethyl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one is sourced from PubChem (CID 167667323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).