3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

C17H17N5O2S — CID 166363077

IUPAC3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCNCC1c1cn[nH]c1
InChIInChI=1S/C17H17N5O2S/c23-16-12(3-4-13(21-16)15-2-1-7-25-15)17(24)22-6-5-18-10-14(22)11-8-19-20-9-11/h1-4,7-9,14,18H,5-6,10H2,(H,19,20)(H,21,23)
InChIKeyCAPZNMIZTAGBIW-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.61
Rot. Bonds3

About 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one

3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (PubChem CID 166363077) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
PubChem CID166363077
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCNCC1c1cn[nH]c1
InChIInChI=1S/C17H17N5O2S/c23-16-12(3-4-13(21-16)15-2-1-7-25-15)17(24)22-6-5-18-10-14(22)11-8-19-20-9-11/h1-4,7-9,14,18H,5-6,10H2,(H,19,20)(H,21,23)
InChIKeyCAPZNMIZTAGBIW-UHFFFAOYSA-N
XLogP1.61
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-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

3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 120741124
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
1-methyl-3-[3-oxo-3-[2-(1H-pyrazol-4-yl)piperazin-1-yl]propyl]benzimidazol-2-one
CID 166276876
3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120728924
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 95607220
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729868
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 120802342
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one (CID 166363077) is 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCNCC1c1cn[nH]c1.
What is the InChIKey of 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
The InChIKey is CAPZNMIZTAGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-16-12(3-4-13(21-16)15-2-1-7-25-15)17(24)22-6-5-18-10-14(22)11-8-19-20-9-11/h1-4,7-9,14,18H,5-6,10H2,(H,19,20)(H,21,23).
What are the key properties of 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one?
3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one has a molecular weight of 355.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-pyrazol-4-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 166363077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).