About 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one
14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 167635647) has the molecular formula C139H135Cl2F4N23O18
and a molecular weight of 2562.65 g/mol. Its IUPAC name is 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one.
Frequently Asked Questions
What is the IUPAC name of 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one (CID 167635647) is 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one is C=CC(=O)N1CC2CCOc3c(c4cc(F)c(-c5c(C)ccc6[nH]c(=O)oc56)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CNc3c(c4cc(F)c(-c5c(C)ccc6[nH]c(=O)oc56)c(Cl)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(F)c(-c5c(C)ccc6[nH]c(=O)oc56)c(Cl)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(C)ccc6[nH]c(=O)oc56)nc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.
What is the InChIKey of 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is OLBNFNOBHFCIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34ClFN6O4.C35H33ClFN5O5.C35H35FN6O5.C34H33FN6O4/c1-7-24(44)41-15-20-13-39-29-32(42(20)14-19(41)6)21-12-22(37)26(25-17(4)8-9-23-33(25)47-35(46)40-23)27(36)31(21)43(34(29)45)30-18(5)10-11-38-28(30)16(2)3;1-7-24(43)40-14-20-15-46-33-31(41(20)13-19(40)6)21-12-22(37)26(25-17(4)8-9-23-32(25)47-35(45)39-23)27(36)30(21)42(34(33)44)29-18(5)10-11-38-28(29)16(2)3;1-7-25(43)40-16-21-11-13-46-32-30(41(21)15-20(40)6)22-14-23(36)28(26-18(4)8-9-24-31(26)47-35(45)38-24)39-33(22)42(34(32)44)29-19(5)10-12-37-27(29)17(2)3;1-7-25(42)39-15-20-12-22-30(40(20)14-19(39)6)21-13-23(35)28(26-17(4)8-9-24-31(26)45-34(44)37-24)38-32(21)41(33(22)43)29-18(5)10-11-36-27(29)16(2)3/h7-12,16,19-20,39H,1,13-15H2,2-6H3,(H,40,46);7-12,16,19-20H,1,13-15H2,2-6H3,(H,39,45);7-10,12,14,17,20-21H,1,11,13,15-16H2,2-6H3,(H,38,45);7-11,13,16,19-20H,1,12,14-15H2,2-6H3,(H,37,44).
What are the key properties of 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one?
14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 2562.65 g/mol, XLogP of 22.09, 16 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-16-fluoro-4-methyl-15-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;7-[14-chloro-16-fluoro-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-11-oxo-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-15-yl]-6-methyl-3H-1,3-benzoxazol-2-one;17-fluoro-4-methyl-16-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,13,15-tetrazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;7-[4-fluoro-15-methyl-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxo-14-prop-2-enoyl-6,8,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-5-yl]-6-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).