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

C20H17N5O2 — CID 3000130

IUPACethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C20H17N5O2/c1-3-27-20(26)15-12-16(14-7-10-21-11-8-14)23-19-18(15)13(2)24-25(19)17-6-4-5-9-22-17/h4-12H,3H2,1-2H3
InChIKeyGOGVBNUXNOQQLA-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.36
Rot. Bonds4

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

ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 3000130) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID3000130
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Nameethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C20H17N5O2/c1-3-27-20(26)15-12-16(14-7-10-21-11-8-14)23-19-18(15)13(2)24-25(19)17-6-4-5-9-22-17/h4-12H,3H2,1-2H3
InChIKeyGOGVBNUXNOQQLA-UHFFFAOYSA-N
XLogP3.36
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
CID 660250
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 3000130) is ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is GOGVBNUXNOQQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-3-27-20(26)15-12-16(14-7-10-21-11-8-14)23-19-18(15)13(2)24-25(19)17-6-4-5-9-22-17/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.36, 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-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 3000130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).