5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate

C46H38F6N6O5 — CID 144619060

About 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate

5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate (PubChem CID 144619060) has the molecular formula C46H38F6N6O5 and a molecular weight of 868.84 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
• PubChem CID: 144619060
• Molecular Formula: C46H38F6N6O5
• Molecular Weight: 868.84 g/mol
• Exact Mass: 868.28
• IUPAC Name: 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]c(C)cc2c1.O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C25H20F3N3O2.C21H18F3N3O3/c26-25(27,28)19-5-1-15(2-6-19)14-31-10-9-17-11-20(7-8-22(17)31)30-23-21(24(32)33)12-18(13-29-23)16-3-4-16;1-11-7-13-8-15(5-6-17(13)26-11)27(20(29)21(22,23)24)18-16(19(28)30-2)9-14(10-25-18)12-3-4-12/h1-2,5-13,16H,3-4,14H2,(H,29,30)(H,32,33);5-10,12,26H,3-4H2,1-2H3
• InChIKey: GNDWQYSEWXQIGG-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 142.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.84
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate?

The IUPAC name of 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate (CID 144619060) is 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate.

What is the SMILES notation for 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate?

The canonical SMILES for 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate is COC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]c(C)cc2c1.O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1.

What is the InChIKey of 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate?

The InChIKey is GNDWQYSEWXQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2.C21H18F3N3O3/c26-25(27,28)19-5-1-15(2-6-19)14-31-10-9-17-11-20(7-8-22(17)31)30-23-21(24(32)33)12-18(13-29-23)16-3-4-16;1-11-7-13-8-15(5-6-17(13)26-11)27(20(29)21(22,23)24)18-16(19(28)30-2)9-14(10-25-18)12-3-4-12/h1-2,5-13,16H,3-4,14H2,(H,29,30)(H,32,33);5-10,12,26H,3-4H2,1-2H3.

What are the key properties of 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate?

5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate has a molecular weight of 868.84 g/mol, XLogP of 11.18, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]amino]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(2-methyl-1H-indol-5-yl)-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 144619060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).