1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide

C131H133Cl4F4N23O16 — CID 159510828

IUPAC1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide
SMILESC=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC
InChIInChI=1S/C34H35ClFN5O4.C33H34ClFN6O4.2C32H32ClFN6O4/c1-19-8-6-10-26(39-34(43)32-21(3)41(18-37-32)29-11-7-9-25(35)31(29)36)28-16-23(17-30(38-28)45-5)24-13-12-22(14-20(2)44-4)15-27(24)40-33(19)42;1-18-8-6-10-25(37-33(43)31-20(3)41(40-39-31)28-11-7-9-24(34)30(28)35)27-16-22(17-29(36-27)45-5)23-13-12-21(14-19(2)44-4)15-26(23)38-32(18)42;2*1-17-7-5-9-24(36-32(43)30-19(3)40(39-38-30)27-10-6-8-23(33)29(27)34)26-15-21(16-28(41)35-26)22-12-11-20(13-18(2)44-4)14-25(22)37-31(17)42/h7,9,11-13,15-19,26H,2,6,8,10,14H2,1,3-5H3,(H,39,43)(H,40,42);7,9,11-13,15-18,25H,2,6,8,10,14H2,1,3-5H3,(H,37,43)(H,38,42);2*6,8,10-12,14-17,24H,2,5,7,9,13H2,1,3-4H3,(H,35,41)(H,36,43)(H,37,42)/t19-,26+;18-,25-;17-,24+;17-,24-/m1010/s1
InChIKeyMAOTVNPBDGSUJU-AXNABBTESA-N
MW2503.45 g/mol
LogP24.66
Rot. Bonds26

About 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide

1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide (PubChem CID 159510828) has the molecular formula C131H133Cl4F4N23O16 and a molecular weight of 2503.45 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide
PubChem CID159510828
Molecular FormulaC131H133Cl4F4N23O16
Molecular Weight2503.45 g/mol
Exact Mass2499.90
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide
SMILESC=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC
InChIInChI=1S/C34H35ClFN5O4.C33H34ClFN6O4.2C32H32ClFN6O4/c1-19-8-6-10-26(39-34(43)32-21(3)41(18-37-32)29-11-7-9-25(35)31(29)36)28-16-23(17-30(38-28)45-5)24-13-12-22(14-20(2)44-4)15-27(24)40-33(19)42;1-18-8-6-10-25(37-33(43)31-20(3)41(40-39-31)28-11-7-9-24(34)30(28)35)27-16-22(17-29(36-27)45-5)23-13-12-21(14-19(2)44-4)15-26(23)38-32(18)42;2*1-17-7-5-9-24(36-32(43)30-19(3)40(39-38-30)27-10-6-8-23(33)29(27)34)26-15-21(16-28(41)35-26)22-12-11-20(13-18(2)44-4)14-25(22)37-31(17)42/h7,9,11-13,15-19,26H,2,6,8,10,14H2,1,3-5H3,(H,39,43)(H,40,42);7,9,11-13,15-18,25H,2,6,8,10,14H2,1,3-5H3,(H,37,43)(H,38,42);2*6,8,10-12,14-17,24H,2,5,7,9,13H2,1,3-4H3,(H,35,41)(H,36,43)(H,37,42)/t19-,26+;18-,25-;17-,24+;17-,24-/m1010/s1
InChIKeyMAOTVNPBDGSUJU-AXNABBTESA-N
XLogP24.66
TPSA489.63 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002503.45
LogP ≤ 524.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide (CID 159510828) is 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide is C=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(OC)n1)OC.C=C(Cc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1cc-2cc(=O)[nH]1)OC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide?
The InChIKey is MAOTVNPBDGSUJU-AXNABBTESA-N. The full InChI is InChI=1S/C34H35ClFN5O4.C33H34ClFN6O4.2C32H32ClFN6O4/c1-19-8-6-10-26(39-34(43)32-21(3)41(18-37-32)29-11-7-9-25(35)31(29)36)28-16-23(17-30(38-28)45-5)24-13-12-22(14-20(2)44-4)15-27(24)40-33(19)42;1-18-8-6-10-25(37-33(43)31-20(3)41(40-39-31)28-11-7-9-24(34)30(28)35)27-16-22(17-29(36-27)45-5)23-13-12-21(14-19(2)44-4)15-26(23)38-32(18)42;2*1-17-7-5-9-24(36-32(43)30-19(3)40(39-38-30)27-10-6-8-23(33)29(27)34)26-15-21(16-28(41)35-26)22-12-11-20(13-18(2)44-4)14-25(22)37-31(17)42/h7,9,11-13,15-19,26H,2,6,8,10,14H2,1,3-5H3,(H,39,43)(H,40,42);7,9,11-13,15-18,25H,2,6,8,10,14H2,1,3-5H3,(H,37,43)(H,38,42);2*6,8,10-12,14-17,24H,2,5,7,9,13H2,1,3-4H3,(H,35,41)(H,36,43)(H,37,42)/t19-,26+;18-,25-;17-,24+;17-,24-/m1010/s1.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide?
1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide has a molecular weight of 2503.45 g/mol, XLogP of 24.66, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methylimidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-5-(2-methoxyprop-2-enyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-5-(2-methoxyprop-2-enyl)-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19)-pentaen-14-yl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 159510828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).