17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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

C142H140Cl3F5N24O10 — CID 167629449

IUPAC17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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
SMILESC=CC(=O)N1CC2CCOc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C
InChIInChI=1S/C36H36ClFN6O3.C36H36ClFN6O2.C35H34ClFN6O2.C35H34F2N6O3/c1-7-27(45)42-17-22-11-13-47-35-34(43(22)16-21(42)6)23-14-25(37)29(28-19(4)8-9-26-24(28)15-40-41-26)30(38)33(23)44(36(35)46)32-20(5)10-12-39-31(32)18(2)3;1-7-28(45)42-17-22-9-10-23-34(43(22)16-21(42)6)24-14-26(37)30(29-19(4)8-11-27-25(29)15-40-41-27)31(38)35(24)44(36(23)46)33-20(5)12-13-39-32(33)18(2)3;1-7-27(44)41-16-21-12-23-33(42(21)15-20(41)6)22-13-25(36)29(28-18(4)8-9-26-24(28)14-39-40-26)30(37)34(22)43(35(23)45)32-19(5)10-11-38-31(32)17(2)3;1-7-26(44)41-15-21-16-46-34-33(42(21)14-20(41)6)22-12-24(36)28(27-18(4)8-9-25-23(27)13-39-40-25)29(37)32(22)43(35(34)45)31-19(5)10-11-38-30(31)17(2)3/h7-10,12,14-15,18,21-22H,1,11,13,16-17H2,2-6H3,(H,40,41);7-8,11-15,18,21-22H,1,9-10,16-17H2,2-6H3,(H,40,41);7-11,13-14,17,20-21H,1,12,15-16H2,2-6H3,(H,39,40);7-13,17,20-21H,1,14-16H2,2-6H3,(H,39,40)
InChIKeyNOUNENMOSCSNNK-UHFFFAOYSA-N
MW2544.19 g/mol
LogP26.38
Rot. Bonds16

About 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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

17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 (PubChem CID 167629449) has the molecular formula C142H140Cl3F5N24O10 and a molecular weight of 2544.19 g/mol. Its IUPAC name is 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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.

Molecular Properties

Compound Name17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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
PubChem CID167629449
Molecular FormulaC142H140Cl3F5N24O10
Molecular Weight2544.19 g/mol
Exact Mass2541.02
IUPAC Name17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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
SMILESC=CC(=O)N1CC2CCOc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C
InChIInChI=1S/C36H36ClFN6O3.C36H36ClFN6O2.C35H34ClFN6O2.C35H34F2N6O3/c1-7-27(45)42-17-22-11-13-47-35-34(43(22)16-21(42)6)23-14-25(37)29(28-19(4)8-9-26-24(28)15-40-41-26)30(38)33(23)44(36(35)46)32-20(5)10-12-39-31(32)18(2)3;1-7-28(45)42-17-22-9-10-23-34(43(22)16-21(42)6)24-14-26(37)30(29-19(4)8-11-27-25(29)15-40-41-27)31(38)35(24)44(36(23)46)33-20(5)12-13-39-32(33)18(2)3;1-7-27(44)41-16-21-12-23-33(42(21)15-20(41)6)22-13-25(36)29(28-18(4)8-9-26-24(28)14-39-40-26)30(37)34(22)43(35(23)45)32-19(5)10-11-38-31(32)17(2)3;1-7-26(44)41-15-21-16-46-34-33(42(21)14-20(41)6)22-12-24(36)28(27-18(4)8-9-25-23(27)13-39-40-25)29(37)32(22)43(35(34)45)31-19(5)10-11-38-30(31)17(2)3/h7-10,12,14-15,18,21-22H,1,11,13,16-17H2,2-6H3,(H,40,41);7-8,11-15,18,21-22H,1,9-10,16-17H2,2-6H3,(H,40,41);7-11,13-14,17,20-21H,1,12,15-16H2,2-6H3,(H,39,40);7-13,17,20-21H,1,14-16H2,2-6H3,(H,39,40)
InChIKeyNOUNENMOSCSNNK-UHFFFAOYSA-N
XLogP26.38
TPSA366.94 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.19
LogP ≤ 526.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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?
The IUPAC name of 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 (CID 167629449) is 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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.
What is the SMILES notation for 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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?
The canonical SMILES for 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 is C=CC(=O)N1CC2CCOc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(F)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)c(F)c4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.
What is the InChIKey of 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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?
The InChIKey is NOUNENMOSCSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36ClFN6O3.C36H36ClFN6O2.C35H34ClFN6O2.C35H34F2N6O3/c1-7-27(45)42-17-22-11-13-47-35-34(43(22)16-21(42)6)23-14-25(37)29(28-19(4)8-9-26-24(28)15-40-41-26)30(38)33(23)44(36(35)46)32-20(5)10-12-39-31(32)18(2)3;1-7-28(45)42-17-22-9-10-23-34(43(22)16-21(42)6)24-14-26(37)30(29-19(4)8-11-27-25(29)15-40-41-27)31(38)35(24)44(36(23)46)33-20(5)12-13-39-32(33)18(2)3;1-7-27(44)41-16-21-12-23-33(42(21)15-20(41)6)22-13-25(36)29(28-18(4)8-9-26-24(28)14-39-40-26)30(37)34(22)43(35(23)45)32-19(5)10-11-38-31(32)17(2)3;1-7-26(44)41-15-21-16-46-34-33(42(21)14-20(41)6)22-12-24(36)28(27-18(4)8-9-25-23(27)13-39-40-25)29(37)32(22)43(35(34)45)31-19(5)10-11-38-30(31)17(2)3/h7-10,12,14-15,18,21-22H,1,11,13,16-17H2,2-6H3,(H,40,41);7-8,11-15,18,21-22H,1,9-10,16-17H2,2-6H3,(H,40,41);7-11,13-14,17,20-21H,1,12,15-16H2,2-6H3,(H,39,40);7-13,17,20-21H,1,14-16H2,2-6H3,(H,39,40).
What are the key properties of 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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?
17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 has a molecular weight of 2544.19 g/mol, XLogP of 26.38, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 17-chloro-15-fluoro-4-methyl-16-(5-methyl-1H-indazol-4-yl)-13-(4-methyl-2-propan-2-yl-3-pyridinyl)-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;4-chloro-6-fluoro-15-methyl-5-(5-methyl-1H-indazol-4-yl)-8-(4-methyl-2-propan-2-yl-3-pyridinyl)-14-prop-2-enoyl-8,14,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-9-one;16-chloro-14-fluoro-4-methyl-15-(5-methyl-1H-indazol-4-yl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;14,16-difluoro-4-methyl-15-(5-methyl-1H-indazol-4-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 is sourced from PubChem (CID 167629449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).