[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol

C24H26N4O3S — CID 59238735

IUPAC[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(CO)CC4)cc23)cn1
InChIInChI=1S/C24H26N4O3S/c1-27-14-20(13-26-27)23-15-28(32(30,31)21-5-3-2-4-6-21)24-22(23)11-19(12-25-24)18-9-7-17(16-29)8-10-18/h2-6,11-15,17-18,29H,7-10,16H2,1H3
InChIKeyAGSBQUMWIWIWGS-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.94
Rot. Bonds5

About [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol

[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol (PubChem CID 59238735) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol
PubChem CID59238735
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(CO)CC4)cc23)cn1
InChIInChI=1S/C24H26N4O3S/c1-27-14-20(13-26-27)23-15-28(32(30,31)21-5-3-2-4-6-21)24-22(23)11-19(12-25-24)18-9-7-17(16-29)8-10-18/h2-6,11-15,17-18,29H,7-10,16H2,1H3
InChIKeyAGSBQUMWIWIWGS-UHFFFAOYSA-N
XLogP3.94
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol?
The IUPAC name of [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol (CID 59238735) is [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol is Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCC(CO)CC4)cc23)cn1.
What is the InChIKey of [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol?
The InChIKey is AGSBQUMWIWIWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-27-14-20(13-26-27)23-15-28(32(30,31)21-5-3-2-4-6-21)24-22(23)11-19(12-25-24)18-9-7-17(16-29)8-10-18/h2-6,11-15,17-18,29H,7-10,16H2,1H3.
What are the key properties of [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol?
[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol has a molecular weight of 450.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol is sourced from PubChem (CID 59238735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).