1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole

C91H90N14O19S5 — CID 158463543

About 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole

1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole (PubChem CID 158463543) has the molecular formula C91H90N14O19S5 and a molecular weight of 1844.13 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole
• PubChem CID: 158463543
• Molecular Formula: C91H90N14O19S5
• Molecular Weight: 1844.13 g/mol
• Exact Mass: 1842.51
• IUPAC Name: 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole
• SMILES: CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3ccc4c(ccn4C(C)=O)c3)c2n1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ccccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ccccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4sccc4c3)c3ccccc23)CC1.O=CO.O=CO.O=CO.O=CO
• InChI: InChI=1S/C25H26N4O3S.C21H19N3O3S.C21H19N3O2S2.C20H18N4O3S.4CH2O2/c1-4-20-5-7-22-23(18-9-12-27(3)13-10-18)16-29(25(22)26-20)33(31,32)21-6-8-24-19(15-21)11-14-28(24)17(2)30;2*1-23-11-8-15(9-12-23)21-18-4-2-3-5-19(18)24(22-21)28(25,26)17-6-7-20-16(14-17)10-13-27-20;1-23-10-8-14(9-11-23)20-17-4-2-3-5-18(17)24(22-20)28(25,26)16-6-7-19-15(12-16)13-21-27-19;4*2-1-3/h5-9,11,14-16H,4,10,12-13H2,1-3H3;2*2-8,10,13-14H,9,11-12H2,1H3;2-8,12-13H,9-11H2,1H3;4*1H,(H,2,3)
• InChIKey: HFLYZFGMRDGCMX-UHFFFAOYSA-N
• XLogP: 14.05
• TPSA: 431.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.13
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole?

The IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole (CID 158463543) is 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole.

What is the SMILES notation for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole?

The canonical SMILES for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole is CCc1ccc2c(C3=CCN(C)CC3)cn(S(=O)(=O)c3ccc4c(ccn4C(C)=O)c3)c2n1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4occc4c3)c3ccccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4oncc4c3)c3ccccc23)CC1.CN1CC=C(c2nn(S(=O)(=O)c3ccc4sccc4c3)c3ccccc23)CC1.O=CO.O=CO.O=CO.O=CO.

What is the InChIKey of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole?

The InChIKey is HFLYZFGMRDGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S.C21H19N3O3S.C21H19N3O2S2.C20H18N4O3S.4CH2O2/c1-4-20-5-7-22-23(18-9-12-27(3)13-10-18)16-29(25(22)26-20)33(31,32)21-6-8-24-19(15-21)11-14-28(24)17(2)30;2*1-23-11-8-15(9-12-23)21-18-4-2-3-5-19(18)24(22-21)28(25,26)17-6-7-20-16(14-17)10-13-27-20;1-23-10-8-14(9-11-23)20-17-4-2-3-5-18(17)24(22-20)28(25,26)16-6-7-19-15(12-16)13-21-27-19;4*2-1-3/h5-9,11,14-16H,4,10,12-13H2,1-3H3;2*2-8,10,13-14H,9,11-12H2,1H3;2-8,12-13H,9-11H2,1H3;4*1H,(H,2,3).

What are the key properties of 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole?

1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole has a molecular weight of 1844.13 g/mol, XLogP of 14.05, 13 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1-benzothiophen-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-[5-[6-ethyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylindol-1-yl]ethanone;formic acid;5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-1,2-benzoxazole is sourced from PubChem (CID 158463543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).