formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one

C71H78N12O14S3 — CID 158170000

About formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one

formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one (PubChem CID 158170000) has the molecular formula C71H78N12O14S3 and a molecular weight of 1419.68 g/mol. Its IUPAC name is formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one
• PubChem CID: 158170000
• Molecular Formula: C71H78N12O14S3
• Molecular Weight: 1419.68 g/mol
• Exact Mass: 1418.49
• IUPAC Name: formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c3cccnc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ncccc23)CC1.O=CO.O=CO.O=CO
• InChI: InChI=1S/2C23H24N4O3S.C22H24N4O2S.3CH2O2/c1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-25-14-10-17(11-15-25)20-16-27(21-4-2-12-24-23(20)21)31(29,30)19-8-6-18(7-9-19)26-13-3-5-22(26)28;1-24-11-7-16(8-12-24)20-15-26(22-19(20)4-3-10-23-22)29(27,28)18-5-6-21-17(14-18)9-13-25(21)2;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2,4,6-10,12,16H,3,5,11,13-15H2,1H3;3-7,10,14-15H,8-9,11-13H2,1-2H3;3*1H,(H,2,3)
• InChIKey: FXIJJOPJZQTTQG-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 321.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.68
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one?

The IUPAC name of formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one (CID 158170000) is formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one.

What is the SMILES notation for formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one?

The canonical SMILES for formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c3cccnc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ncccc23)CC1.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one?

The InChIKey is FXIJJOPJZQTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24N4O3S.C22H24N4O2S.3CH2O2/c1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-25-14-10-17(11-15-25)20-16-27(21-4-2-12-24-23(20)21)31(29,30)19-8-6-18(7-9-19)26-13-3-5-22(26)28;1-24-11-7-16(8-12-24)20-15-26(22-19(20)4-3-10-23-22)29(27,28)18-5-6-21-17(14-18)9-13-25(21)2;3*2-1-3/h3-7,10,14-15H,8-9,11-13H2,1-2H3;2,4,6-10,12,16H,3,5,11,13-15H2,1H3;3-7,10,14-15H,8-9,11-13H2,1-2H3;3*1H,(H,2,3).

What are the key properties of formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one?

formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 1419.68 g/mol, XLogP of 8.11, 10 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;1-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 158170000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).