1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

C12H11N3OS — CID 135418906

IUPAC1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C
InChIInChI=1S/C12H11N3OS/c1-7-6-9(16)13-12-10(7)11(14-15(12)2)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,16)
InChIKeyLLJHHBOKKIUZTE-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.30
Rot. Bonds1

About 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135418906) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135418906
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C
InChIInChI=1S/C12H11N3OS/c1-7-6-9(16)13-12-10(7)11(14-15(12)2)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,16)
InChIKeyLLJHHBOKKIUZTE-UHFFFAOYSA-N
XLogP2.30
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875698
5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875703
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
5-Methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875693
5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
(5-Amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone
CID 1263277
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
Thiophene-3-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11371383
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
US10118930, Example 59
CID 137018249

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135418906) is 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(-c1cccs1)nn2C.
What is the InChIKey of 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LLJHHBOKKIUZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-7-6-9(16)13-12-10(7)11(14-15(12)2)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,16).
What are the key properties of 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 245.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135418906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).