6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide

C33H43N7O3 — CID 175352558

About 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide

6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide (PubChem CID 175352558) has the molecular formula C33H43N7O3 and a molecular weight of 585.75 g/mol. Its IUPAC name is 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
• PubChem CID: 175352558
• Molecular Formula: C33H43N7O3
• Molecular Weight: 585.75 g/mol
• Exact Mass: 585.34
• IUPAC Name: 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide
• SMILES: CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)N3CCc4cccc(C)c43)C[C@H]2CC)=C(C(=O)N[C@@H]2CCNC2)N1
• InChI: InChI=1S/C33H43N7O3/c1-4-27-22-38(32(42)40-17-13-24-9-6-8-23(3)30(24)40)18-19-39(27)28-11-14-33(43-5-2,25-10-7-15-34-20-25)37-29(28)31(41)36-26-12-16-35-21-26/h6-11,14-15,20,26-27,35,37H,4-5,12-13,16-19,21-22H2,1-3H3,(H,36,41)/t26-,27-,33?/m1/s1
• InChIKey: YXFHWRJGEGEXAT-OMKZWDOSSA-N
• XLogP: 3.01
• TPSA: 102.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.75
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide (CID 175352558) is 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide.

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

The canonical SMILES for 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide is CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)N3CCc4cccc(C)c43)C[C@H]2CC)=C(C(=O)N[C@@H]2CCNC2)N1.

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

The InChIKey is YXFHWRJGEGEXAT-OMKZWDOSSA-N. The full InChI is InChI=1S/C33H43N7O3/c1-4-27-22-38(32(42)40-17-13-24-9-6-8-23(3)30(24)40)18-19-39(27)28-11-14-33(43-5-2,25-10-7-15-34-20-25)37-29(28)31(41)36-26-12-16-35-21-26/h6-11,14-15,20,26-27,35,37H,4-5,12-13,16-19,21-22H2,1-3H3,(H,36,41)/t26-,27-,33?/m1/s1.

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

6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide has a molecular weight of 585.75 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[(2R)-2-ethyl-4-(7-methyl-2,3-dihydroindole-1-carbonyl)piperazin-1-yl]-6-pyridin-3-yl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175352558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).