15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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

C139H141Cl4F6N21O13 — CID 167568787

IUPAC15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)cc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C
InChIInChI=1S/C35H36ClF2N5O4.C35H36ClF2N5O3.C35H35ClN6O3.C34H34ClF2N5O3/c1-7-25(45)41-15-20-11-12-47-34-32(42(20)14-19(41)6)21-13-23(38)27(26-22(37)9-8-10-24(26)44)28(36)31(21)43(35(34)46)33-29(17(2)3)39-16-40-30(33)18(4)5;1-7-26(45)41-15-20-11-12-21-32(42(20)14-19(41)6)22-13-24(38)28(27-23(37)9-8-10-25(27)44)29(36)33(22)43(35(21)46)34-30(17(2)3)39-16-40-31(34)18(4)5;1-7-29(43)40-16-22-17-45-34-33(41(22)15-21(40)6)24-12-26(36)23(30-19(4)8-9-27-25(30)14-38-39-27)13-28(24)42(35(34)44)32-20(5)10-11-37-31(32)18(2)3;1-7-25(44)40-14-19-11-21-31(41(19)13-18(40)6)20-12-23(37)27(26-22(36)9-8-10-24(26)43)28(35)32(20)42(34(21)45)33-29(16(2)3)38-15-39-30(33)17(4)5/h7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-14,18,21-22H,1,15-17H2,2-6H3,(H,38,39);7-10,12,15-19,43H,1,11,13-14H2,2-6H3
InChIKeyFPVWXHHFNDBHKA-UHFFFAOYSA-N
MW2569.59 g/mol
LogP26.36
Rot. Bonds19

About 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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

15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 167568787) has the molecular formula C139H141Cl4F6N21O13 and a molecular weight of 2569.59 g/mol. Its IUPAC name is 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 Name15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 CID167568787
Molecular FormulaC139H141Cl4F6N21O13
Molecular Weight2569.59 g/mol
Exact Mass2565.97
IUPAC Name15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)cc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C
InChIInChI=1S/C35H36ClF2N5O4.C35H36ClF2N5O3.C35H35ClN6O3.C34H34ClF2N5O3/c1-7-25(45)41-15-20-11-12-47-34-32(42(20)14-19(41)6)21-13-23(38)27(26-22(37)9-8-10-24(26)44)28(36)31(21)43(35(34)46)33-29(17(2)3)39-16-40-30(33)18(4)5;1-7-26(45)41-15-20-11-12-21-32(42(20)14-19(41)6)22-13-24(38)28(27-23(37)9-8-10-25(27)44)29(36)33(22)43(35(21)46)34-30(17(2)3)39-16-40-31(34)18(4)5;1-7-29(43)40-16-22-17-45-34-33(41(22)15-21(40)6)24-12-26(36)23(30-19(4)8-9-27-25(30)14-38-39-27)13-28(24)42(35(34)44)32-20(5)10-11-37-31(32)18(2)3;1-7-25(44)40-14-19-11-21-31(41(19)13-18(40)6)20-12-23(37)27(26-22(36)9-8-10-24(26)43)28(35)32(20)42(34(21)45)33-29(16(2)3)38-15-39-30(33)17(4)5/h7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-14,18,21-22H,1,15-17H2,2-6H3,(H,38,39);7-10,12,15-19,43H,1,11,13-14H2,2-6H3
InChIKeyFPVWXHHFNDBHKA-UHFFFAOYSA-N
XLogP26.36
TPSA380.26 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms183
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.59
LogP ≤ 526.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 167568787) is 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2CCc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2COc3c(c4cc(Cl)c(-c5c(C)ccc6[nH]ncc56)cc4n(-c4c(C)ccnc4C(C)C)c3=O)N2CC1C.C=CC(=O)N1CC2Cc3c(c4cc(F)c(-c5c(O)cccc5F)c(Cl)c4n(-c4c(C(C)C)ncnc4C(C)C)c3=O)N2CC1C.
What is the InChIKey of 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 FPVWXHHFNDBHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClF2N5O4.C35H36ClF2N5O3.C35H35ClN6O3.C34H34ClF2N5O3/c1-7-25(45)41-15-20-11-12-47-34-32(42(20)14-19(41)6)21-13-23(38)27(26-22(37)9-8-10-24(26)44)28(36)31(21)43(35(34)46)33-29(17(2)3)39-16-40-30(33)18(4)5;1-7-26(45)41-15-20-11-12-21-32(42(20)14-19(41)6)22-13-24(38)28(27-23(37)9-8-10-25(27)44)29(36)33(22)43(35(21)46)34-30(17(2)3)39-16-40-31(34)18(4)5;1-7-29(43)40-16-22-17-45-34-33(41(22)15-21(40)6)24-12-26(36)23(30-19(4)8-9-27-25(30)14-38-39-27)13-28(24)42(35(34)44)32-20(5)10-11-37-31(32)18(2)3;1-7-25(44)40-14-19-11-21-31(41(19)13-18(40)6)20-12-23(37)27(26-22(36)9-8-10-24(26)43)28(35)32(20)42(34(21)45)33-29(16(2)3)38-15-39-30(33)17(4)5/h7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-10,13,16-20,44H,1,11-12,14-15H2,2-6H3;7-14,18,21-22H,1,15-17H2,2-6H3,(H,38,39);7-10,12,15-19,43H,1,11,13-14H2,2-6H3.
What are the key properties of 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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?
15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 2569.59 g/mol, XLogP of 26.36, 19 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-13-[4,6-di(propan-2-yl)pyrimidin-5-yl]-17-fluoro-16-(2-fluoro-6-hydroxyphenyl)-4-methyl-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;6-chloro-8-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-fluoro-5-(2-fluoro-6-hydroxyphenyl)-15-methyl-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-chloro-12-[4,6-di(propan-2-yl)pyrimidin-5-yl]-16-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4-methyl-5-prop-2-enoyl-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one;16-chloro-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 167568787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).