1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole

C57H62FN13O8S3 — CID 159499015

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole (PubChem CID 159499015) has the molecular formula C57H62FN13O8S3 and a molecular weight of 1172.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
• PubChem CID: 159499015
• Molecular Formula: C57H62FN13O8S3
• Molecular Weight: 1172.40 g/mol
• Exact Mass: 1171.40
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ncccc23)CC1.Cc1nc(S(=O)(=O)n2nc(C3=CCN(C)CC3)c3cc(F)ccc32)cn1C.Cc1nc(S(=O)(=O)n2nc(C3=CCN(C)CC3)c3ccccc32)cn1C
• InChI: InChI=1S/C21H21N3O4S.C18H20FN5O2S.C18H21N5O2S/c1-23-9-6-15(7-10-23)18-14-24(21-17(18)3-2-8-22-21)29(25,26)16-4-5-19-20(13-16)28-12-11-27-19;1-12-20-17(11-23(12)3)27(25,26)24-16-5-4-14(19)10-15(16)18(21-24)13-6-8-22(2)9-7-13;1-13-19-17(12-22(13)3)26(24,25)23-16-7-5-4-6-15(16)18(20-23)14-8-10-21(2)11-9-14/h2-6,8,13-14H,7,9-12H2,1H3;4-6,10-11H,7-9H2,1-3H3;4-8,12H,9-11H2,1-3H3
• InChIKey: LZDNBIMJSZGVNM-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 219.70 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1172.40
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole (CID 159499015) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ncccc23)CC1.Cc1nc(S(=O)(=O)n2nc(C3=CCN(C)CC3)c3cc(F)ccc32)cn1C.Cc1nc(S(=O)(=O)n2nc(C3=CCN(C)CC3)c3ccccc32)cn1C.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?

The InChIKey is LZDNBIMJSZGVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S.C18H20FN5O2S.C18H21N5O2S/c1-23-9-6-15(7-10-23)18-14-24(21-17(18)3-2-8-22-21)29(25,26)16-4-5-19-20(13-16)28-12-11-27-19;1-12-20-17(11-23(12)3)27(25,26)24-16-5-4-14(19)10-15(16)18(21-24)13-6-8-22(2)9-7-13;1-13-19-17(12-22(13)3)26(24,25)23-16-7-5-4-6-15(16)18(20-23)14-8-10-21(2)11-9-14/h2-6,8,13-14H,7,9-12H2,1H3;4-6,10-11H,7-9H2,1-3H3;4-8,12H,9-11H2,1-3H3.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole has a molecular weight of 1172.40 g/mol, XLogP of 6.97, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole is sourced from PubChem (CID 159499015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).