2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide

C85H68F12N16O6S — CID 161475424

About 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide

2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide (PubChem CID 161475424) has the molecular formula C85H68F12N16O6S and a molecular weight of 1669.63 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
• PubChem CID: 161475424
• Molecular Formula: C85H68F12N16O6S
• Molecular Weight: 1669.63 g/mol
• Exact Mass: 1668.50
• IUPAC Name: 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1ccc2c(c1)c(NC(=O)c1cccnn1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1conc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C22H18F3N3O2.C21H16F3N5O.C21H17F3N4O2.C21H17F3N4OS/c1-13-3-5-19-17(9-13)18(27-21(29)16-7-8-30-14(16)2)12-28(19)11-15-4-6-20(26-10-15)22(23,24)25;1-13-4-6-18-15(9-13)17(27-20(30)16-3-2-8-26-28-16)12-29(18)11-14-5-7-19(25-10-14)21(22,23)24;1-12-3-5-18-15(7-12)17(26-20(29)16-11-30-27-13(16)2)10-28(18)9-14-4-6-19(25-8-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,27,29);2-10,12H,11H2,1H3,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,26,29);3-8,10-11H,9H2,1-2H3,(H,27,29)
• InChIKey: WDQKSZIRNFKMLQ-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 265.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1669.63
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide (CID 161475424) is 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide is Cc1ccc2c(c1)c(NC(=O)c1cccnn1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1conc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1.

What is the InChIKey of 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?

The InChIKey is WDQKSZIRNFKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2.C21H16F3N5O.C21H17F3N4O2.C21H17F3N4OS/c1-13-3-5-19-17(9-13)18(27-21(29)16-7-8-30-14(16)2)12-28(19)11-15-4-6-20(26-10-15)22(23,24)25;1-13-4-6-18-15(9-13)17(27-20(30)16-3-2-8-26-28-16)12-29(18)11-14-5-7-19(25-10-14)21(22,23)24;1-12-3-5-18-15(7-12)17(26-20(29)16-11-30-27-13(16)2)10-28(18)9-14-4-6-19(25-8-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24/h3-10,12H,11H2,1-2H3,(H,27,29);2-10,12H,11H2,1H3,(H,27,30);3-8,10-11H,9H2,1-2H3,(H,26,29);3-8,10-11H,9H2,1-2H3,(H,27,29).

What are the key properties of 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide?

2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1669.63 g/mol, XLogP of 20.41, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 161475424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).