N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid

C46H37F6N5O4 — CID 157123178

About N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid

N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 157123178) has the molecular formula C46H37F6N5O4 and a molecular weight of 837.82 g/mol. Its IUPAC name is N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid
• PubChem CID: 157123178
• Molecular Formula: C46H37F6N5O4
• Molecular Weight: 837.82 g/mol
• Exact Mass: 837.27
• IUPAC Name: N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid
• SMILES: CC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]ccc2c1.O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C26H21F3N2O2.C20H16F3N3O2/c27-26(28,29)21-6-1-16(2-7-21)15-31-10-9-19-11-17(3-8-24(19)31)12-23-22(25(32)33)13-20(14-30-23)18-4-5-18;1-11(27)16-9-14(12-2-3-12)10-25-18(16)26(19(28)20(21,22)23)15-4-5-17-13(8-15)6-7-24-17/h1-3,6-11,13-14,18H,4-5,12,15H2,(H,32,33);4-10,12,24H,2-3H2,1H3
• InChIKey: AIFGVLZJIMXKJG-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 121.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.82
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid?

The IUPAC name of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid (CID 157123178) is N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid.

What is the SMILES notation for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid?

The canonical SMILES for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid is CC(=O)c1cc(C2CC2)cnc1N(C(=O)C(F)(F)F)c1ccc2[nH]ccc2c1.O=C(O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1.

What is the InChIKey of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid?

The InChIKey is AIFGVLZJIMXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2.C20H16F3N3O2/c27-26(28,29)21-6-1-16(2-7-21)15-31-10-9-19-11-17(3-8-24(19)31)12-23-22(25(32)33)13-20(14-30-23)18-4-5-18;1-11(27)16-9-14(12-2-3-12)10-25-18(16)26(19(28)20(21,22)23)15-4-5-17-13(8-15)6-7-24-17/h1-3,6-11,13-14,18H,4-5,12,15H2,(H,32,33);4-10,12,24H,2-3H2,1H3.

What are the key properties of N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid?

N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 837.82 g/mol, XLogP of 11.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-5-cyclopropyl-2-pyridinyl)-2,2,2-trifluoro-N-(1H-indol-5-yl)acetamide;5-cyclopropyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157123178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).