6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid

C79H96N12O14S3 — CID 160740414

About 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid

6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid (PubChem CID 160740414) has the molecular formula C79H96N12O14S3 and a molecular weight of 1533.91 g/mol. Its IUPAC name is 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid.

Molecular Properties

• Compound Name: 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid
• PubChem CID: 160740414
• Molecular Formula: C79H96N12O14S3
• Molecular Weight: 1533.91 g/mol
• Exact Mass: 1532.63
• IUPAC Name: 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid
• SMILES: CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCC(OC)C4)c3)c2n1.CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c2n1.CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCCC4=O)c3)c2n1.O=CO.O=CO.O=CO
• InChI: InChI=1S/C26H32N4O3S.C25H28N4O3S.C25H30N4O2S.3CH2O2/c1-4-20-8-9-24-25(19-10-13-28(2)14-11-19)18-30(26(24)27-20)34(31,32)23-7-5-6-21(16-23)29-15-12-22(17-29)33-3;1-3-19-9-10-22-23(18-11-14-27(2)15-12-18)17-29(25(22)26-19)33(31,32)21-7-4-6-20(16-21)28-13-5-8-24(28)30;1-3-20-9-10-23-24(19-11-15-27(2)16-12-19)18-29(25(23)26-20)32(30,31)22-8-6-7-21(17-22)28-13-4-5-14-28;3*2-1-3/h5-10,16,18,22H,4,11-15,17H2,1-3H3;4,6-7,9-11,16-17H,3,5,8,12-15H2,1-2H3;6-11,17-18H,3-5,12-16H2,1-2H3;3*1H,(H,2,3)
• InChIKey: RVMRNZRZOSTMIG-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 313.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.91
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid?

The IUPAC name of 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid (CID 160740414) is 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid.

What is the SMILES notation for 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid?

The canonical SMILES for 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid is CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCC(OC)C4)c3)c2n1.CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c2n1.CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3cccc(N4CCCC4=O)c3)c2n1.O=CO.O=CO.O=CO.

What is the InChIKey of 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid?

The InChIKey is RVMRNZRZOSTMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S.C25H28N4O3S.C25H30N4O2S.3CH2O2/c1-4-20-8-9-24-25(19-10-13-28(2)14-11-19)18-30(26(24)27-20)34(31,32)23-7-5-6-21(16-23)29-15-12-22(17-29)33-3;1-3-19-9-10-22-23(18-11-14-27(2)15-12-18)17-29(25(22)26-19)33(31,32)21-7-4-6-20(16-21)28-13-5-8-24(28)30;1-3-20-9-10-23-24(19-11-15-27(2)16-12-19)18-29(25(23)26-20)32(30,31)22-8-6-7-21(17-22)28-13-4-5-14-28;3*2-1-3/h5-10,16,18,22H,4,11-15,17H2,1-3H3;4,6-7,9-11,16-17H,3,5,8,12-15H2,1-2H3;6-11,17-18H,3-5,12-16H2,1-2H3;3*1H,(H,2,3).

What are the key properties of 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid?

6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid has a molecular weight of 1533.91 g/mol, XLogP of 10.72, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-[3-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one;formic acid is sourced from PubChem (CID 160740414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).