ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H16N4O2S — CID 3583690

IUPACethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
InChIKeyHCUFUIAOECNGFY-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.03
Rot. Bonds4

About ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 3583690) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID3583690
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Nameethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3
InChIKeyHCUFUIAOECNGFY-UHFFFAOYSA-N
XLogP4.03
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-isopropyl-N-(pyridin-2-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36931909
1-propan-2-yl-N-pyrimidin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137652256
3-Methyl-1-(3-methylphenyl)-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 4542341
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
6-(5-chlorothiophen-2-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 9505395
1-isopropyl-N-(pyridin-4-yl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 41585492
6-(4-Methylsulfonylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600398
6-(4-Methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600543
1-(Pyridin-4-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600808
6-(3-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600809
6-(4-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600810
6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 3583690) is ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HCUFUIAOECNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-25-19(24)13-11-14(15-7-6-10-26-15)21-18-17(13)12(2)22-23(18)16-8-4-5-9-20-16/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 3583690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).