ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C23H21FN4O2 — CID 69186363

IUPACethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-4-28-22-17(13-26-28)19(15-10-14(3)11-25-12-15)20(23(29)30-5-2)21(27-22)16-8-6-7-9-18(16)24/h6-13H,4-5H2,1-3H3
InChIKeyNLFNUNCSNVKMAQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.80
Rot. Bonds5

About ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69186363) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69186363
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Nameethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2F)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C23H21FN4O2/c1-4-28-22-17(13-26-28)19(15-10-14(3)11-25-12-15)20(23(29)30-5-2)21(27-22)16-8-6-7-9-18(16)24/h6-13H,4-5H2,1-3H3
InChIKeyNLFNUNCSNVKMAQ-UHFFFAOYSA-N
XLogP4.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 69186363) is ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(-c2ccccc2F)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NLFNUNCSNVKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-4-28-22-17(13-26-28)19(15-10-14(3)11-25-12-15)20(23(29)30-5-2)21(27-22)16-8-6-7-9-18(16)24/h6-13H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 404.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-(2-fluorophenyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69186363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).