6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide

C33H38F3N7O3 — CID 166680362

About 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 166680362) has the molecular formula C33H38F3N7O3 and a molecular weight of 637.71 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
• PubChem CID: 166680362
• Molecular Formula: C33H38F3N7O3
• Molecular Weight: 637.71 g/mol
• Exact Mass: 637.30
• IUPAC Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
• SMILES: CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3CNc4c3cccc4C(F)(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1
• InChI: InChI=1S/C33H38F3N7O3/c1-3-21-19-42(32(45)24-18-39-28-22(24)7-5-9-25(28)33(34,35)36)15-16-43(21)27-11-10-26(23-8-6-13-38-31(23)46-4-2)41-29(27)30(44)40-20-12-14-37-17-20/h5-11,13,20-21,24,37,39H,3-4,12,14-19H2,1-2H3,(H,40,44)/t20-,21-,24?/m1/s1
• InChIKey: KTGYLICUGDUNIG-YHNKWQPZSA-N
• XLogP: 4.29
• TPSA: 111.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.71
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide (CID 166680362) is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide is CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3CNc4c3cccc4C(F)(F)F)C[C@H]2CC)c(C(=O)N[C@@H]2CCNC2)n1.

What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?

The InChIKey is KTGYLICUGDUNIG-YHNKWQPZSA-N. The full InChI is InChI=1S/C33H38F3N7O3/c1-3-21-19-42(32(45)24-18-39-28-22(24)7-5-9-25(28)33(34,35)36)15-16-43(21)27-11-10-26(23-8-6-13-38-31(23)46-4-2)41-29(27)30(44)40-20-12-14-37-17-20/h5-11,13,20-21,24,37,39H,3-4,12,14-19H2,1-2H3,(H,40,44)/t20-,21-,24?/m1/s1.

What are the key properties of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide?

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 637.71 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carbonyl]piperazin-1-yl]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166680362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).