1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine

C96H120N16O4S2 — CID 158644445

About 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158644445) has the molecular formula C96H120N16O4S2 and a molecular weight of 1626.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158644445
• Molecular Formula: C96H120N16O4S2
• Molecular Weight: 1626.26 g/mol
• Exact Mass: 1624.91
• IUPAC Name: 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: C.C.C.C.CC1C=C(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC(C)(C)C1.CC1C=C(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)CC(C)(C)C1.CC1CC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)=CC(C)(C)C1.CC1CC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)=CC(C)(C)C1
• InChI: InChI=1S/2C26H28N4O2S.2C20H24N4.4CH4/c2*1-18-10-19(13-26(2,3)12-18)20-11-23-24(21-15-28-29(4)16-21)17-30(25(23)27-14-20)33(31,32)22-8-6-5-7-9-22;2*1-13-5-14(8-20(2,3)7-13)15-6-17-18(11-22-19(17)21-9-15)16-10-23-24(4)12-16;;;;/h5-9,11,13-18H,10,12H2,1-4H3;5-11,14-18H,12-13H2,1-4H3;6,8-13H,5,7H2,1-4H3,(H,21,22);5-6,9-13H,7-8H2,1-4H3,(H,21,22);4*1H4
• InChIKey: IAUDUEFRECEVNL-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 232.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.26
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine (CID 158644445) is 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine is C.C.C.C.CC1C=C(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC(C)(C)C1.CC1C=C(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)CC(C)(C)C1.CC1CC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)=CC(C)(C)C1.CC1CC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S(=O)(=O)c2ccccc2)=CC(C)(C)C1.

What is the InChIKey of 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is IAUDUEFRECEVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N4O2S.2C20H24N4.4CH4/c2*1-18-10-19(13-26(2,3)12-18)20-11-23-24(21-15-28-29(4)16-21)17-30(25(23)27-14-20)33(31,32)22-8-6-5-7-9-22;2*1-13-5-14(8-20(2,3)7-13)15-6-17-18(11-22-19(17)21-9-15)16-10-23-24(4)12-16;;;;/h5-9,11,13-18H,10,12H2,1-4H3;5-11,14-18H,12-13H2,1-4H3;6,8-13H,5,7H2,1-4H3,(H,21,22);5-6,9-13H,7-8H2,1-4H3,(H,21,22);4*1H4.

What are the key properties of 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine?

1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1626.26 g/mol, XLogP of 23.18, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine;methane;3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-(3,5,5-trimethylcyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158644445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).