formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C74H78N14O14S3 — CID 161452708

About formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 161452708) has the molecular formula C74H78N14O14S3 and a molecular weight of 1483.72 g/mol. Its IUPAC name is formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 161452708
• Molecular Formula: C74H78N14O14S3
• Molecular Weight: 1483.72 g/mol
• Exact Mass: 1482.50
• IUPAC Name: formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3nc(C4=CCN(C)CC4)c4ccccc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCN4C)c3ccc(-n4ccnc4)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccnc3)c3ccc(-n4ccnc4)cc23)CC1.O=CO.O=CO.O=CO
• InChI: InChI=1S/C26H27N5O3S.C23H24N4O3S.C22H21N5O2S.3CH2O2/c1-28-10-7-19(8-11-28)23-17-31(24-5-3-20(15-22(23)24)30-12-9-27-18-30)35(32,33)21-4-6-25-26(16-21)34-14-13-29(25)2;1-16(28)26-14-11-18-15-19(7-8-21(18)26)31(29,30)27-22-6-4-3-5-20(22)23(24-27)17-9-12-25(2)13-10-17;1-25-10-6-17(7-11-25)21-15-27(30(28,29)19-3-2-8-23-14-19)22-5-4-18(13-20(21)22)26-12-9-24-16-26;3*2-1-3/h3-7,9,12,15-18H,8,10-11,13-14H2,1-2H3;3-9,15H,10-14H2,1-2H3;2-6,8-9,12-16H,7,10-11H2,1H3;3*1H,(H,2,3)
• InChIKey: WASZBIPWLRPVAY-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 333.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1483.72
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 161452708) is formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3nc(C4=CCN(C)CC4)c4ccccc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCN4C)c3ccc(-n4ccnc4)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccnc3)c3ccc(-n4ccnc4)cc23)CC1.O=CO.O=CO.O=CO.

What is the InChIKey of formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is WASZBIPWLRPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S.C23H24N4O3S.C22H21N5O2S.3CH2O2/c1-28-10-7-19(8-11-28)23-17-31(24-5-3-20(15-22(23)24)30-12-9-27-18-30)35(32,33)21-4-6-25-26(16-21)34-14-13-29(25)2;1-16(28)26-14-11-18-15-19(7-8-21(18)26)31(29,30)27-22-6-4-3-5-20(22)23(24-27)17-9-12-25(2)13-10-17;1-25-10-6-17(7-11-25)21-15-27(30(28,29)19-3-2-8-23-14-19)22-5-4-18(13-20(21)22)26-12-9-24-16-26;3*2-1-3/h3-7,9,12,15-18H,8,10-11,13-14H2,1-2H3;3-9,15H,10-14H2,1-2H3;2-6,8-9,12-16H,7,10-11H2,1H3;3*1H,(H,2,3).

What are the key properties of formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1483.72 g/mol, XLogP of 8.79, 11 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;7-[5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine;5-imidazol-1-yl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-pyridin-3-ylsulfonylindole;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 161452708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).