formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C92H104N16O21S4 — CID 157131248

About formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 157131248) has the molecular formula C92H104N16O21S4 and a molecular weight of 1898.20 g/mol. Its IUPAC name is formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 157131248
• Molecular Formula: C92H104N16O21S4
• Molecular Weight: 1898.20 g/mol
• Exact Mass: 1896.64
• IUPAC Name: formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)ccc21.COC1CCN(c2cncc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)c2)C1.COc1ccc2c(c1)c(C1=CCN(C)CC1)cn2S(=O)(=O)c1cccc(N2CCC(OC)C2)c1.COc1cncc(S(=O)(=O)n2cc(C3=CCNCC3)c3ncccc32)c1.O=CO.O=CO.O=CO.O=CO
• InChI: InChI=1S/C26H31N3O4S.C22H25N5O3S.C22H22N4O3S.C18H18N4O3S.4CH2O2/c1-27-12-9-19(10-13-27)25-18-29(26-8-7-21(32-2)16-24(25)26)34(30,31)23-6-4-5-20(15-23)28-14-11-22(17-28)33-3;1-30-18-6-10-26(14-18)17-11-19(13-24-12-17)31(28,29)27-15-20(16-4-8-23-9-5-16)22-21(27)3-2-7-25-22;1-15(27)25-12-8-17-13-18(4-5-20(17)25)30(28,29)26-14-19(16-6-10-23-11-7-16)22-21(26)3-2-9-24-22;1-25-14-9-15(11-20-10-14)26(23,24)22-12-16(13-4-7-19-8-5-13)18-17(22)3-2-6-21-18;4*2-1-3/h4-9,15-16,18,22H,10-14,17H2,1-3H3;2-4,7,11-13,15,18,23H,5-6,8-10,14H2,1H3;2-6,9,13-14,23H,7-8,10-12H2,1H3;2-4,6,9-12,19H,5,7-8H2,1H3;4*1H,(H,2,3)
• InChIKey: AJCHUZBJFNZVRF-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 472.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.20
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 157131248) is formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)ccc21.COC1CCN(c2cncc(S(=O)(=O)n3cc(C4=CCNCC4)c4ncccc43)c2)C1.COc1ccc2c(c1)c(C1=CCN(C)CC1)cn2S(=O)(=O)c1cccc(N2CCC(OC)C2)c1.COc1cncc(S(=O)(=O)n2cc(C3=CCNCC3)c3ncccc32)c1.O=CO.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is AJCHUZBJFNZVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S.C22H25N5O3S.C22H22N4O3S.C18H18N4O3S.4CH2O2/c1-27-12-9-19(10-13-27)25-18-29(26-8-7-21(32-2)16-24(25)26)34(30,31)23-6-4-5-20(15-23)28-14-11-22(17-28)33-3;1-30-18-6-10-26(14-18)17-11-19(13-24-12-17)31(28,29)27-15-20(16-4-8-23-9-5-16)22-21(27)3-2-7-25-22;1-15(27)25-12-8-17-13-18(4-5-20(17)25)30(28,29)26-14-19(16-6-10-23-11-7-16)22-21(26)3-2-9-24-22;1-25-14-9-15(11-20-10-14)26(23,24)22-12-16(13-4-7-19-8-5-13)18-17(22)3-2-6-21-18;4*2-1-3/h4-9,15-16,18,22H,10-14,17H2,1-3H3;2-4,7,11-13,15,18,23H,5-6,8-10,14H2,1H3;2-6,9,13-14,23H,7-8,10-12H2,1H3;2-4,6,9-12,19H,5,7-8H2,1H3;4*1H,(H,2,3).

What are the key properties of formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1898.20 g/mol, XLogP of 9.52, 18 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;5-methoxy-1-[3-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(5-methoxy-3-pyridinyl)sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[[5-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine;1-[5-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 157131248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).