2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C20H15N5OS2 — CID 137222940

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)n(-c2nc3nc(-c4cccs4)cc(-c4cccs4)c3c(=O)[nH]2)n1
InChIInChI=1S/C20H15N5OS2/c1-11-9-12(2)25(24-11)20-22-18-17(19(26)23-20)13(15-5-3-7-27-15)10-14(21-18)16-6-4-8-28-16/h3-10H,1-2H3,(H,21,22,23,26)
InChIKeyARUGKZGMCYUNAU-UHFFFAOYSA-N
MW405.51 g/mol
LogP4.58
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137222940) has the molecular formula C20H15N5OS2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137222940
Molecular FormulaC20H15N5OS2
Molecular Weight405.51 g/mol
Exact Mass405.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)n(-c2nc3nc(-c4cccs4)cc(-c4cccs4)c3c(=O)[nH]2)n1
InChIInChI=1S/C20H15N5OS2/c1-11-9-12(2)25(24-11)20-22-18-17(19(26)23-20)13(15-5-3-7-27-15)10-14(21-18)16-6-4-8-28-16/h3-10H,1-2H3,(H,21,22,23,26)
InChIKeyARUGKZGMCYUNAU-UHFFFAOYSA-N
XLogP4.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(2-benzylidenehydrazinyl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137222937
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 19587653
2,5-dichloro-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605188
3-chloro-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2,2-dimethylpropanamide
CID 136605165
6-hydroxy-11,13-dithiophen-2-yl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 54682086
2-(4-chlorophenyl)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136605217
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 136636644
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136604738
3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
CID 137276811
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 136605362
methyl 2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
CID 135527311

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137222940) is 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)n(-c2nc3nc(-c4cccs4)cc(-c4cccs4)c3c(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ARUGKZGMCYUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS2/c1-11-9-12(2)25(24-11)20-22-18-17(19(26)23-20)13(15-5-3-7-27-15)10-14(21-18)16-6-4-8-28-16/h3-10H,1-2H3,(H,21,22,23,26).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 405.51 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5,7-dithiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).