About 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione
13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione (PubChem CID 167676711) has the molecular formula C133H132Cl4F8N26O17S
and a molecular weight of 2692.55 g/mol. Its IUPAC name is 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione.
Frequently Asked Questions
What is the IUPAC name of 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The IUPAC name of 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione (CID 167676711) is 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione.
What is the SMILES notation for 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The canonical SMILES for 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione is C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C(C)C)ncnc4C(C)C)c4c(Cl)c(-c5c(O)cccc5F)c(F)c(c34)N(C)C(=O)C2C1.C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C(C)C)ncnc4C(C)C)c4c(Cl)c(-c5c(O)cccc5F)c(F)c(c34)NC(=O)C2C1.C=CC(=O)N1CC(C)N2c3nc(=O)n(-c4c(C(C)C)ncnc4C(C)C)c4c(Cl)c(-c5c(O)cccc5F)c(F)c(c34)S(=O)(=O)CC2C1.C=CC(=O)N1CC2COc3c(F)c(-c4c(O)cccc4F)c(Cl)c4c3c(nc(=O)n4-c3c(C(C)C)ncnc3C(C)C)N2CC1C.
What is the InChIKey of 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
The InChIKey is UXRDPZHXWBLNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClF2N7O4.C33H32ClF2N7O4.C33H33ClF2N6O5S.C33H33ClF2N6O4/c1-8-21(46)42-12-17(6)43-19(13-42)33(47)41(7)30-24-29(25(35)23(26(30)37)22-18(36)10-9-11-20(22)45)44(34(48)40-32(24)43)31-27(15(2)3)38-14-39-28(31)16(4)5;1-7-20(45)41-11-16(6)42-18(12-41)32(46)39-28-23-29(24(34)22(25(28)36)21-17(35)9-8-10-19(21)44)43(33(47)40-31(23)42)30-26(14(2)3)37-13-38-27(30)15(4)5;1-7-21(44)40-11-17(6)41-18(12-40)13-48(46,47)31-24-29(25(34)23(26(31)36)22-19(35)9-8-10-20(22)43)42(33(45)39-32(24)41)30-27(15(2)3)37-14-38-28(30)16(4)5;1-7-21(44)40-12-18-13-46-31-24-29(25(34)23(26(31)36)22-19(35)9-8-10-20(22)43)42(33(45)39-32(24)41(18)11-17(40)6)30-27(15(2)3)37-14-38-28(30)16(4)5/h8-11,14-17,19,45H,1,12-13H2,2-7H3;7-10,13-16,18,44H,1,11-12H2,2-6H3,(H,39,46);7-10,14-18,43H,1,11-13H2,2-6H3;7-10,14-18,43H,1,11-13H2,2-6H3.
What are the key properties of 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione?
13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione has a molecular weight of 2692.55 g/mol, XLogP of 21.38, 20 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3,9-dimethyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene-8,16-dione;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-9,9-dioxo-5-prop-2-enoyl-9λ6-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one;13-chloro-15-[4,6-di(propan-2-yl)pyrimidin-5-yl]-11-fluoro-12-(2-fluoro-6-hydroxyphenyl)-3-methyl-5-prop-2-enoyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene-8,16-dione is sourced from PubChem (CID 167676711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).