4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine

C24H24FN3S — CID 162159757

IUPAC4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc3c2C=CC3)n1C1CCCCC1
InChIInChI=1S/C24H24FN3S/c1-29-24-27-22(16-10-12-17(25)13-11-16)23(28(24)18-6-3-2-4-7-18)20-14-15-26-21-9-5-8-19(20)21/h5,8,10-15,18H,2-4,6-7,9H2,1H3
InChIKeyZMHXBKCZRARTLC-UHFFFAOYSA-N
MW405.54 g/mol
LogP6.55
Rot. Bonds4

About 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine (PubChem CID 162159757) has the molecular formula C24H24FN3S and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine
PubChem CID162159757
Molecular FormulaC24H24FN3S
Molecular Weight405.54 g/mol
Exact Mass405.17
IUPAC Name4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc3c2C=CC3)n1C1CCCCC1
InChIInChI=1S/C24H24FN3S/c1-29-24-27-22(16-10-12-17(25)13-11-16)23(28(24)18-6-3-2-4-7-18)20-14-15-26-21-9-5-8-19(20)21/h5,8,10-15,18H,2-4,6-7,9H2,1H3
InChIKeyZMHXBKCZRARTLC-UHFFFAOYSA-N
XLogP6.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[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 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine (CID 162159757) is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc3c2C=CC3)n1C1CCCCC1.
What is the InChIKey of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine?
The InChIKey is ZMHXBKCZRARTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3S/c1-29-24-27-22(16-10-12-17(25)13-11-16)23(28(24)18-6-3-2-4-7-18)20-14-15-26-21-9-5-8-19(20)21/h5,8,10-15,18H,2-4,6-7,9H2,1H3.
What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine?
4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine has a molecular weight of 405.54 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 162159757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).