1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate

C120H125Cl4F4N29O13 — CID 160573131

About 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate

1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate (PubChem CID 160573131) has the molecular formula C120H125Cl4F4N29O13 and a molecular weight of 2399.31 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate.

Molecular Properties

• Compound Name: 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate
• PubChem CID: 160573131
• Molecular Formula: C120H125Cl4F4N29O13
• Molecular Weight: 2399.31 g/mol
• Exact Mass: 2395.87
• IUPAC Name: 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate
• SMILES: C=C(Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)cn1)c1ncc-2[nH]1)OC.C=C(Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1ncc-2[nH]1)OC.C=C(Nc1ccc2c(c1)NC(=O)C[C@H](C)CCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)cn1)c1ncc-2[nH]1)OC.COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1ncc-2[nH]1
• InChI: InChI=1S/C31H33ClFN7O3.2C30H31ClFN7O3.C29H30ClFN8O4/c1-17-7-5-9-24(39-31(42)22-15-35-40(18(22)2)27-10-6-8-23(32)29(27)33)30-34-16-26(38-30)21-12-11-20(36-19(3)43-4)14-25(21)37-28(41)13-17;2*1-17-6-4-8-22(38-30(41)25-15-39(16-34-25)26-9-5-7-21(31)28(26)32)29-33-14-24(37-29)20-11-10-19(35-18(2)42-3)13-23(20)36-27(40)12-17;1-15-6-4-8-20(36-28(41)26-16(2)39(38-37-26)23-9-5-7-19(30)25(23)31)27-32-14-22(35-27)18-11-10-17(33-29(42)43-3)13-21(18)34-24(40)12-15/h6,8,10-12,14-17,24,36H,3,5,7,9,13H2,1-2,4H3,(H,34,38)(H,37,41)(H,39,42);2*5,7,9-11,13-17,22,35H,2,4,6,8,12H2,1,3H3,(H,33,37)(H,36,40)(H,38,41);5,7,9-11,13-15,20H,4,6,8,12H2,1-3H3,(H,32,35)(H,33,42)(H,34,40)(H,36,41)/t17-,24-;17-,22+;17-,22-;15-,20-/m0100/s1
• InChIKey: RAUKZGNXIXUAMP-DGLGQVOASA-N
• XLogP: 24.48
• TPSA: 533.80 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.31
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate?

The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate (CID 160573131) is 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate.

What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate?

The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate is C=C(Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)cn1)c1ncc-2[nH]1)OC.C=C(Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1ncc-2[nH]1)OC.C=C(Nc1ccc2c(c1)NC(=O)C[C@H](C)CCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)cn1)c1ncc-2[nH]1)OC.COC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H](C)CCC[C@H](NC(=O)c1nnn(-c3cccc(Cl)c3F)c1C)c1ncc-2[nH]1.

What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate?

The InChIKey is RAUKZGNXIXUAMP-DGLGQVOASA-N. The full InChI is InChI=1S/C31H33ClFN7O3.2C30H31ClFN7O3.C29H30ClFN8O4/c1-17-7-5-9-24(39-31(42)22-15-35-40(18(22)2)27-10-6-8-23(32)29(27)33)30-34-16-26(38-30)21-12-11-20(36-19(3)43-4)14-25(21)37-28(41)13-17;2*1-17-6-4-8-22(38-30(41)25-15-39(16-34-25)26-9-5-7-21(31)28(26)32)29-33-14-24(37-29)20-11-10-19(35-18(2)42-3)13-23(20)36-27(40)12-17;1-15-6-4-8-20(36-28(41)26-16(2)39(38-37-26)23-9-5-7-19(30)25(23)31)27-32-14-22(35-27)18-11-10-17(33-29(42)43-3)13-21(18)34-24(40)12-15/h6,8,10-12,14-17,24,36H,3,5,7,9,13H2,1-2,4H3,(H,34,38)(H,37,41)(H,39,42);2*5,7,9-11,13-17,22,35H,2,4,6,8,12H2,1,3H3,(H,33,37)(H,36,40)(H,38,41);5,7,9-11,13-15,20H,4,6,8,12H2,1-3H3,(H,32,35)(H,33,42)(H,34,40)(H,36,41)/t17-,24-;17-,22+;17-,22-;15-,20-/m0100/s1.

What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate?

1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate has a molecular weight of 2399.31 g/mol, XLogP of 24.48, 22 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-fluorophenyl)-N-[(11R,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]imidazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(11S,15S)-5-(1-methoxyethenylamino)-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-15-yl]-5-methylpyrazole-4-carboxamide;methyl N-[(11S,15S)-15-[[1-(3-chloro-2-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]-11-methyl-9-oxo-8,17,19-triazatricyclo[14.2.1.02,7]nonadeca-1(18),2(7),3,5,16-pentaen-5-yl]carbamate is sourced from PubChem (CID 160573131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).