4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one

C14H15N3O2S — CID 169157844

IUPAC4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCCC(=O)N1CCC(c2c(C)c3ccsc3[nH]c2=O)=N1
InChIInChI=1S/C14H15N3O2S/c1-3-11(18)17-6-4-10(16-17)12-8(2)9-5-7-20-14(9)15-13(12)19/h5,7H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyOWQMIVLMMPIYHF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.24
Rot. Bonds2

About 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one

4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 169157844) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID169157844
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCCC(=O)N1CCC(c2c(C)c3ccsc3[nH]c2=O)=N1
InChIInChI=1S/C14H15N3O2S/c1-3-11(18)17-6-4-10(16-17)12-8(2)9-5-7-20-14(9)15-13(12)19/h5,7H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyOWQMIVLMMPIYHF-UHFFFAOYSA-N
XLogP2.24
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[(3S)-3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 170142759
4-methyl-5-[3-(2-methyl-1,3-thiazol-5-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 169157859
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835
1-(5-amino-3,4-dihydropyrazol-2-yl)propan-1-one
CID 23460185
4-[3-(4-chlorophenyl)-5-[4-(4-chlorophenyl)-6-oxo-7H-thieno[2,3-b]pyridin-5-yl]-3,4-dihydropyrazol-2-yl]-3,3-difluoro-4-oxobutanoic acid
CID 166090328
3-methyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 31634836
4-[(3R)-3-(4-chlorophenyl)-5-[4-(4-chlorophenyl)-6-oxo-7H-thieno[2,3-b]pyridin-5-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 174270097
7-chloro-4-methyl-3-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1H-quinolin-2-one
CID 169158003
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889534
4-methyl-5-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-7H-thieno[2,3-b]pyridin-6-one
CID 169157922
3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 24608276
3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one
CID 169158006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one (CID 169157844) is 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one is CCC(=O)N1CCC(c2c(C)c3ccsc3[nH]c2=O)=N1.
What is the InChIKey of 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is OWQMIVLMMPIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-3-11(18)17-6-4-10(16-17)12-8(2)9-5-7-20-14(9)15-13(12)19/h5,7H,3-4,6H2,1-2H3,(H,15,19).
What are the key properties of 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one?
4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 289.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-propanoyl-3,4-dihydropyrazol-5-yl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 169157844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).