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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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).