14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one

C113H116F7N17O10 — CID 167676679

About 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one

14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one (PubChem CID 167676679) has the molecular formula C113H116F7N17O10 and a molecular weight of 2005.27 g/mol. Its IUPAC name is 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one.

Molecular Properties

• Compound Name: 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one
• PubChem CID: 167676679
• Molecular Formula: C113H116F7N17O10
• Molecular Weight: 2005.27 g/mol
• Exact Mass: 2003.90
• IUPAC Name: 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one
• SMILES: C=CC(=O)N1CC2C(=O)N(C3CCOCC3)c3c(c4cc(F)c(-c5c(O)cccc5F)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCOc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C(C)C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C(C)C)ccnc4C(C)C)c3=O)N2CC1C
• InChI: InChI=1S/C38H38F3N5O5.C38H40F2N6O3.C37H38F2N6O2/c1-6-28(48)43-18-26-37(49)45(22-11-14-51-15-12-22)36-35(44(26)17-21(43)5)23-16-25(40)30(29-24(39)8-7-9-27(29)47)31(41)34(23)46(38(36)50)33-20(4)10-13-42-32(33)19(2)3;1-8-29(47)44-18-23-12-14-49-37-36(45(23)17-22(44)7)25-15-27(39)31(30-21(6)9-10-28-26(30)16-42-43-28)32(40)34(25)46(38(37)48)35-24(19(2)3)11-13-41-33(35)20(4)5;1-8-29(46)43-17-22-13-25-34(44(22)16-21(43)7)24-14-27(38)31(30-20(6)9-10-28-26(30)15-41-42-28)32(39)35(24)45(37(25)47)36-23(18(2)3)11-12-40-33(36)19(4)5/h6-10,13,16,19,21-22,26,47H,1,11-12,14-15,17-18H2,2-5H3;8-11,13,15-16,19-20,22-23H,1,12,14,17-18H2,2-7H3,(H,42,43);8-12,14-15,18-19,21-22H,1,13,16-17H2,2-7H3,(H,41,42)
• InChIKey: UXNNFZDSWPJUOY-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 291.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.27
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one?

The IUPAC name of 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one (CID 167676679) is 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one.

What is the SMILES notation for 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one?

The canonical SMILES for 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one is C=CC(=O)N1CC2C(=O)N(C3CCOCC3)c3c(c4cc(F)c(-c5c(O)cccc5F)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCOc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C(C)C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C(C)C)ccnc4C(C)C)c3=O)N2CC1C.

What is the InChIKey of 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one?

The InChIKey is UXNNFZDSWPJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F3N5O5.C38H40F2N6O3.C37H38F2N6O2/c1-6-28(48)43-18-26-37(49)45(22-11-14-51-15-12-22)36-35(44(26)17-21(43)5)23-16-25(40)30(29-24(39)8-7-9-27(29)47)31(41)34(23)46(38(36)50)33-20(4)10-13-42-32(33)19(2)3;1-8-29(47)44-18-23-12-14-49-37-36(45(23)17-22(44)7)25-15-27(39)31(30-21(6)9-10-28-26(30)16-42-43-28)32(40)34(25)46(38(37)48)35-24(19(2)3)11-13-41-33(35)20(4)5;1-8-29(46)43-17-22-13-25-34(44(22)16-21(43)7)24-14-27(38)31(30-20(6)9-10-28-26(30)15-41-42-28)32(39)35(24)45(37(25)47)36-23(18(2)3)11-12-40-33(36)19(4)5/h6-10,13,16,19,21-22,26,47H,1,11-12,14-15,17-18H2,2-5H3;8-11,13,15-16,19-20,22-23H,1,12,14,17-18H2,2-7H3,(H,42,43);8-12,14-15,18-19,21-22H,1,13,16-17H2,2-7H3,(H,41,42).

What are the key properties of 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one?

14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one has a molecular weight of 2005.27 g/mol, XLogP of 19.77, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 14,16-difluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-(oxan-4-yl)-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione;13-[2,4-di(propan-2-yl)-3-pyridinyl]-15,17-difluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-5-prop-2-enoyl-10-oxa-2,5,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),14,16,18-tetraen-12-one;8-[2,4-di(propan-2-yl)-3-pyridinyl]-4,6-difluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one is sourced from PubChem (CID 167676679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).