1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine

C24H21F3N4O2S — CID 70296465

IUPAC1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine
SMILESC=C1CCC(c2cnc3c(c2)c(-c2cnn(C(F)(F)F)c2)cn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H21F3N4O2S/c1-16-7-9-17(10-8-16)18-11-21-22(19-13-29-31(14-19)24(25,26)27)15-30(23(21)28-12-18)34(32,33)20-5-3-2-4-6-20/h2-6,11-15,17H,1,7-10H2
InChIKeyYGOXTOZMKJFTIP-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.83
Rot. Bonds4

About 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine (PubChem CID 70296465) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine
PubChem CID70296465
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine
SMILESC=C1CCC(c2cnc3c(c2)c(-c2cnn(C(F)(F)F)c2)cn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H21F3N4O2S/c1-16-7-9-17(10-8-16)18-11-21-22(19-13-29-31(14-19)24(25,26)27)15-30(23(21)28-12-18)34(32,33)20-5-3-2-4-6-20/h2-6,11-15,17H,1,7-10H2
InChIKeyYGOXTOZMKJFTIP-UHFFFAOYSA-N
XLogP5.83
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine 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 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine (CID 70296465) is 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine is C=C1CCC(c2cnc3c(c2)c(-c2cnn(C(F)(F)F)c2)cn3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is YGOXTOZMKJFTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-16-7-9-17(10-8-16)18-11-21-22(19-13-29-31(14-19)24(25,26)27)15-30(23(21)28-12-18)34(32,33)20-5-3-2-4-6-20/h2-6,11-15,17H,1,7-10H2.
What are the key properties of 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 486.52 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(4-methylidenecyclohexyl)-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70296465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).