1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C24H26N4O2S — CID 59238605

IUPAC1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCC1CCCCC1c1cnc2c(c1)c(-c1cnn(C)c1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c1-17-8-6-7-11-21(17)18-12-22-23(19-14-26-27(2)15-19)16-28(24(22)25-13-18)31(29,30)20-9-4-3-5-10-20/h3-5,9-10,12-17,21H,6-8,11H2,1-2H3
InChIKeyRBGYYXATJVPAAD-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.97
Rot. Bonds4

About 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 59238605) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID59238605
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCC1CCCCC1c1cnc2c(c1)c(-c1cnn(C)c1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c1-17-8-6-7-11-21(17)18-12-22-23(19-14-26-27(2)15-19)16-28(24(22)25-13-18)31(29,30)20-9-4-3-5-10-20/h3-5,9-10,12-17,21H,6-8,11H2,1-2H3
InChIKeyRBGYYXATJVPAAD-UHFFFAOYSA-N
XLogP4.97
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 59238605) is 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is CC1CCCCC1c1cnc2c(c1)c(-c1cnn(C)c1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is RBGYYXATJVPAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-8-6-7-11-21(17)18-12-22-23(19-14-26-27(2)15-19)16-28(24(22)25-13-18)31(29,30)20-9-4-3-5-10-20/h3-5,9-10,12-17,21H,6-8,11H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 434.57 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(2-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59238605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).