4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one

C24H26F3N5O3S — CID 134332674

IUPAC4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2N2NN=NC2O)s1
InChIInChI=1S/C24H26F3N5O3S/c1-2-17-10-11-20(36-17)18-14-19(28-22(33)21(18)32-23(34)29-30-31-32)15-6-8-16(9-7-15)35-13-5-3-4-12-24(25,26)27/h6-11,14,23,34H,2-5,12-13H2,1H3,(H,28,33)(H,29,31)
InChIKeyKVZZTUWDWNHHQB-UHFFFAOYSA-N
MW521.57 g/mol
LogP5.80
Rot. Bonds10

About 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one

4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one (PubChem CID 134332674) has the molecular formula C24H26F3N5O3S and a molecular weight of 521.57 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
PubChem CID134332674
Molecular FormulaC24H26F3N5O3S
Molecular Weight521.57 g/mol
Exact Mass521.17
IUPAC Name4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2N2NN=NC2O)s1
InChIInChI=1S/C24H26F3N5O3S/c1-2-17-10-11-20(36-17)18-14-19(28-22(33)21(18)32-23(34)29-30-31-32)15-6-8-16(9-7-15)35-13-5-3-4-12-24(25,26)27/h6-11,14,23,34H,2-5,12-13H2,1H3,(H,28,33)(H,29,31)
InChIKeyKVZZTUWDWNHHQB-UHFFFAOYSA-N
XLogP5.80
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-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

N,N'-diamino-4-(5-ethylthiophen-2-yl)-2-oxo-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 137279872
N,N'-diamino-4-(5-ethylthiophen-2-yl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 137279792
4-(5-ethylthiophen-2-yl)-6-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-3-(5-oxo-1H-tetrazol-4-yl)-1H-pyridin-2-one
CID 137179230
4-(5-ethylthiophen-2-yl)-6-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide
CID 129050965
N'-amino-4-[4-(dimethylamino)phenyl]-2-oxo-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 144977537
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(2H-tetrazol-5-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
CID 137179219
6-[2-fluoro-4-(6,6,6-trifluorohexoxy)phenyl]-4-(4-methylphenyl)-3-(5-oxo-1H-tetrazol-4-yl)-1H-pyridin-2-one
CID 137179208
N,N'-diamino-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 137279850
ethane;N-[4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridin-3-yl]-2H-tetrazole-5-carboxamide
CID 144977582
6-(4-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656658
N-(4-methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129050899
4-(5-ethyl-1,3-thiazol-2-yl)-6-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide
CID 129050959

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one (CID 134332674) is 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one is CCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3)[nH]c(=O)c2N2NN=NC2O)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is KVZZTUWDWNHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3S/c1-2-17-10-11-20(36-17)18-14-19(28-22(33)21(18)32-23(34)29-30-31-32)15-6-8-16(9-7-15)35-13-5-3-4-12-24(25,26)27/h6-11,14,23,34H,2-5,12-13H2,1H3,(H,28,33)(H,29,31).
What are the key properties of 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one?
4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 521.57 g/mol, XLogP of 5.80, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 134332674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).