13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

C129H129Cl12F4N31O9 — CID 167587404

IUPAC13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
SMILESC=CC(=O)N1CC2CCN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCNc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCOc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C
InChIInChI=1S/C33H34Cl3FN8O2.2C32H32Cl3FN8O2.C32H31Cl3FN7O3/c1-7-21(46)43-14-18-9-11-42(6)30-23-31(44(18)13-17(43)5)41-33(47)45(29-16(4)8-10-39-27(29)15(2)3)32(23)40-28(24(30)36)22-25(37)19(34)12-20(35)26(22)38;1-7-20(45)42-13-17-12-41(6)29-22-30(43(17)11-16(42)5)40-32(46)44(28-15(4)8-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)10-19(34)25(21)37;1-6-20(45)42-13-17-8-10-39-27-22-30(43(17)12-16(42)5)41-32(46)44(29-15(4)7-9-38-26(29)14(2)3)31(22)40-28(23(27)35)21-24(36)18(33)11-19(34)25(21)37;1-6-20(44)41-13-17-8-10-46-29-22-30(42(17)12-16(41)5)40-32(45)43(28-15(4)7-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)11-19(34)25(21)37/h7-8,10,12,15,17-18H,1,9,11,13-14,38H2,2-6H3;7-10,14,16-17H,1,11-13,37H2,2-6H3;6-7,9,11,14,16-17,39H,1,8,10,12-13,37H2,2-5H3;6-7,9,11,14,16-17H,1,8,10,12-13,37H2,2-5H3
InChIKeyHZBSQLORYFXHCV-UHFFFAOYSA-N
MW2759.09 g/mol
LogP25.08
Rot. Bonds16

About 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one

13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (PubChem CID 167587404) has the molecular formula C129H129Cl12F4N31O9 and a molecular weight of 2759.09 g/mol. Its IUPAC name is 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.

Molecular Properties

Compound Name13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
PubChem CID167587404
Molecular FormulaC129H129Cl12F4N31O9
Molecular Weight2759.09 g/mol
Exact Mass2751.68
IUPAC Name13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
SMILESC=CC(=O)N1CC2CCN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCNc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCOc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C
InChIInChI=1S/C33H34Cl3FN8O2.2C32H32Cl3FN8O2.C32H31Cl3FN7O3/c1-7-21(46)43-14-18-9-11-42(6)30-23-31(44(18)13-17(43)5)41-33(47)45(29-16(4)8-10-39-27(29)15(2)3)32(23)40-28(24(30)36)22-25(37)19(34)12-20(35)26(22)38;1-7-20(45)42-13-17-12-41(6)29-22-30(43(17)11-16(42)5)40-32(46)44(28-15(4)8-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)10-19(34)25(21)37;1-6-20(45)42-13-17-8-10-39-27-22-30(43(17)12-16(42)5)41-32(46)44(29-15(4)7-9-38-26(29)14(2)3)31(22)40-28(23(27)35)21-24(36)18(33)11-19(34)25(21)37;1-6-20(44)41-13-17-8-10-46-29-22-30(42(17)12-16(41)5)40-32(45)43(28-15(4)7-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)11-19(34)25(21)37/h7-8,10,12,15,17-18H,1,9,11,13-14,38H2,2-6H3;7-10,14,16-17H,1,11-13,37H2,2-6H3;6-7,9,11,14,16-17,39H,1,8,10,12-13,37H2,2-5H3;6-7,9,11,14,16-17H,1,8,10,12-13,37H2,2-5H3
InChIKeyHZBSQLORYFXHCV-UHFFFAOYSA-N
XLogP25.08
TPSA468.70 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002759.09
LogP ≤ 525.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The IUPAC name of 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one (CID 167587404) is 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one.
What is the SMILES notation for 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The canonical SMILES for 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is C=CC(=O)N1CC2CCN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCNc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CCOc3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.C=CC(=O)N1CC2CN(C)c3c(Cl)c(-c4c(N)c(Cl)cc(Cl)c4F)nc4c3c(nc(=O)n4-c3c(C)ccnc3C(C)C)N2CC1C.
What is the InChIKey of 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
The InChIKey is HZBSQLORYFXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl3FN8O2.2C32H32Cl3FN8O2.C32H31Cl3FN7O3/c1-7-21(46)43-14-18-9-11-42(6)30-23-31(44(18)13-17(43)5)41-33(47)45(29-16(4)8-10-39-27(29)15(2)3)32(23)40-28(24(30)36)22-25(37)19(34)12-20(35)26(22)38;1-7-20(45)42-13-17-12-41(6)29-22-30(43(17)11-16(42)5)40-32(46)44(28-15(4)8-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)10-19(34)25(21)37;1-6-20(45)42-13-17-8-10-39-27-22-30(43(17)12-16(42)5)41-32(46)44(29-15(4)7-9-38-26(29)14(2)3)31(22)40-28(23(27)35)21-24(36)18(33)11-19(34)25(21)37;1-6-20(44)41-13-17-8-10-46-29-22-30(42(17)12-16(41)5)40-32(45)43(28-15(4)7-9-38-26(28)14(2)3)31(22)39-27(23(29)35)21-24(36)18(33)11-19(34)25(21)37/h7-8,10,12,15,17-18H,1,9,11,13-14,38H2,2-6H3;7-10,14,16-17H,1,11-13,37H2,2-6H3;6-7,9,11,14,16-17,39H,1,8,10,12-13,37H2,2-5H3;6-7,9,11,14,16-17H,1,8,10,12-13,37H2,2-5H3.
What are the key properties of 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one?
13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one has a molecular weight of 2759.09 g/mol, XLogP of 25.08, 16 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4,10-dimethyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;12-(2-amino-3,5-dichloro-6-fluorophenyl)-11-chloro-4,9-dimethyl-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;13-(2-amino-3,5-dichloro-6-fluorophenyl)-12-chloro-4-methyl-16-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one is sourced from PubChem (CID 167587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).