formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

C95H100N16O20S4 — CID 158650689

About formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 158650689) has the molecular formula C95H100N16O20S4 and a molecular weight of 1914.20 g/mol. Its IUPAC name is formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
• PubChem CID: 158650689
• Molecular Formula: C95H100N16O20S4
• Molecular Weight: 1914.20 g/mol
• Exact Mass: 1912.62
• IUPAC Name: formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(Oc4ccccc4)nc3)c3cccnc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc4c3CN(C)CC4)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ncccc23)CC1.COc1ccc2c(c1)c(C1=CCN(C)CC1)cn2S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.O=CO.O=CO.O=CO.O=CO
• InChI: InChI=1S/C25H27N3O4S.C24H22N4O3S.C23H26N4O2S.C19H17N5O3S.4CH2O2/c1-17(29)27-13-10-19-14-21(5-7-24(19)27)33(30,31)28-16-23(18-8-11-26(2)12-9-18)22-15-20(32-3)4-6-25(22)28;1-27-14-11-18(12-15-27)21-17-28(22-8-5-13-25-24(21)22)32(29,30)20-9-10-23(26-16-20)31-19-6-3-2-4-7-19;1-25-12-8-18(9-13-25)20-16-27(21-6-4-11-24-23(20)21)30(28,29)22-7-3-5-17-10-14-26(2)15-19(17)22;1-23-9-6-13(7-10-23)18-16-3-2-8-20-19(16)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;4*2-1-3/h4-8,14-16H,9-13H2,1-3H3;2-11,13,16-17H,12,14-15H2,1H3;3-8,11,16H,9-10,12-15H2,1-2H3;2-6,8,11-12H,7,9-10H2,1H3;4*1H,(H,2,3)
• InChIKey: IBNAUQLZNLLPPE-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 450.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.20
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?

The IUPAC name of formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline (CID 158650689) is formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc(Oc4ccccc4)nc3)c3cccnc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc4c3CN(C)CC4)c3cccnc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ncccc23)CC1.COc1ccc2c(c1)c(C1=CCN(C)CC1)cn2S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.O=CO.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?

The InChIKey is IBNAUQLZNLLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S.C24H22N4O3S.C23H26N4O2S.C19H17N5O3S.4CH2O2/c1-17(29)27-13-10-19-14-21(5-7-24(19)27)33(30,31)28-16-23(18-8-11-26(2)12-9-18)22-15-20(32-3)4-6-25(22)28;1-27-14-11-18(12-15-27)21-17-28(22-8-5-13-25-24(21)22)32(29,30)20-9-10-23(26-16-20)31-19-6-3-2-4-7-19;1-25-12-8-18(9-13-25)20-16-27(21-6-4-11-24-23(20)21)30(28,29)22-7-3-5-17-10-14-26(2)15-19(17)22;1-23-9-6-13(7-10-23)18-16-3-2-8-20-19(16)24(22-18)28(25,26)15-4-5-17-14(11-15)12-21-27-17;4*2-1-3/h4-8,14-16H,9-13H2,1-3H3;2-11,13,16-17H,12,14-15H2,1H3;3-8,11,16H,9-10,12-15H2,1-2H3;2-6,8,11-12H,7,9-10H2,1H3;4*1H,(H,2,3).

What are the key properties of formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?

formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 1914.20 g/mol, XLogP of 12.01, 15 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;1-[5-[5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(6-phenoxy-3-pyridinyl)sulfonyl]pyrrolo[3,2-b]pyridine;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[5,4-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole;2-methyl-8-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 158650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).