7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

C20H16F3N5OS — CID 19614092

IUPAC7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cn1
InChIInChI=1S/C20H16F3N5OS/c1-3-27-10-12(9-24-27)14-8-13(20(21,22)23)16-17(25-14)28(19(30)26-18(16)29)15-7-5-4-6-11(15)2/h4-10H,3H2,1-2H3,(H,26,29,30)
InChIKeyHLTNZZUKXKPUDM-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.65
Rot. Bonds3

About 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 19614092) has the molecular formula C20H16F3N5OS and a molecular weight of 431.44 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID19614092
Molecular FormulaC20H16F3N5OS
Molecular Weight431.44 g/mol
Exact Mass431.10
IUPAC Name7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cn1
InChIInChI=1S/C20H16F3N5OS/c1-3-27-10-12(9-24-27)14-8-13(20(21,22)23)16-17(25-14)28(19(30)26-18(16)29)15-7-5-4-6-11(15)2/h4-10H,3H2,1-2H3,(H,26,29,30)
InChIKeyHLTNZZUKXKPUDM-UHFFFAOYSA-N
XLogP4.65
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-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-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136254194
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 90644879
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292
3-Methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 66561650
6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]-3H-quinazolin-4-one
CID 136254195
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516
[4-(3,5-dimethylpyrazolyl)phenyl]-N-(2-pyridyl)carboxamide
CID 663966
[4-(1H-pyrazol-1-yl)phenyl]{4-[3-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2813860
2-(4-Fluorophenyl)-3-[2-(propan-2-ylamino)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 11560165
1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
CID 56834955
3-Ethyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 70681473
3-Ethenyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]quinazolin-4-one
CID 70687848

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (CID 19614092) is 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HLTNZZUKXKPUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS/c1-3-27-10-12(9-24-27)14-8-13(20(21,22)23)16-17(25-14)28(19(30)26-18(16)29)15-7-5-4-6-11(15)2/h4-10H,3H2,1-2H3,(H,26,29,30).
What are the key properties of 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 431.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19614092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).