4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C28H32N4OS — CID 137226690

IUPAC4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C28H32N4OS/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23(25-15-14-22(4-2)34-25)26(28(33)31-24)27-29-17-30-32-27/h10-19H,3-9H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyUQGMQMORJWIXFC-UHFFFAOYSA-N
MW472.66 g/mol
LogP7.19
Rot. Bonds7

About 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 137226690) has the molecular formula C28H32N4OS and a molecular weight of 472.66 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID137226690
Molecular FormulaC28H32N4OS
Molecular Weight472.66 g/mol
Exact Mass472.23
IUPAC Name4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C28H32N4OS/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23(25-15-14-22(4-2)34-25)26(28(33)31-24)27-29-17-30-32-27/h10-19H,3-9H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyUQGMQMORJWIXFC-UHFFFAOYSA-N
XLogP7.19
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(4,4-dimethylcyclohexyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226694
6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179197
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-cyclopropyl-2-(5-ethylthiophen-2-yl)-1H-pyrimidin-6-one
CID 135975441
5-(5-heptylthiophen-2-yl)-3-[4-(4-pentylcyclohexyl)phenyl]-1,2-oxazole
CID 102373378
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
CID 162014078
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
N,N'-diamino-4-(5-ethylthiophen-2-yl)-2-oxo-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 137279872
2-(2-bromophenyl)-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-thiadiazole
CID 3937475

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 137226690) is 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is UQGMQMORJWIXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4OS/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-16-23(25-15-14-22(4-2)34-25)26(28(33)31-24)27-29-17-30-32-27/h10-19H,3-9H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 472.66 g/mol, XLogP of 7.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137226690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).