ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C21H17FN4O2 — CID 3416576

IUPACethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O2/c1-3-28-21(27)17-11-18(14-5-4-10-23-12-14)24-20-19(17)13(2)25-26(20)16-8-6-15(22)7-9-16/h4-12H,3H2,1-2H3
InChIKeyUGMNFLDBEHDBCG-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.11
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 3416576) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID3416576
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Nameethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O2/c1-3-28-21(27)17-11-18(14-5-4-10-23-12-14)24-20-19(17)13(2)25-26(20)16-8-6-15(22)7-9-16/h4-12H,3H2,1-2H3
InChIKeyUGMNFLDBEHDBCG-UHFFFAOYSA-N
XLogP4.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 3416576) is ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UGMNFLDBEHDBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-3-28-21(27)17-11-18(14-5-4-10-23-12-14)24-20-19(17)13(2)25-26(20)16-8-6-15(22)7-9-16/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 376.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 3416576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).