5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine

C19H22FN5O — CID 142608439

IUPAC5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCC(C)(F)C2)c2c(cnn2C)n1
InChIInChI=1S/C19H22FN5O/c1-4-26-18-13(6-5-8-21-18)14-10-16(25-9-7-19(2,20)12-25)17-15(23-14)11-22-24(17)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3
InChIKeyGAKJWGBMJNBVFR-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.37
Rot. Bonds4

About 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine

5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine (PubChem CID 142608439) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine
PubChem CID142608439
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine
SMILESCCOc1ncccc1-c1cc(N2CCC(C)(F)C2)c2c(cnn2C)n1
InChIInChI=1S/C19H22FN5O/c1-4-26-18-13(6-5-8-21-18)14-10-16(25-9-7-19(2,20)12-25)17-15(23-14)11-22-24(17)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3
InChIKeyGAKJWGBMJNBVFR-UHFFFAOYSA-N
XLogP3.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine (CID 142608439) is 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine is CCOc1ncccc1-c1cc(N2CCC(C)(F)C2)c2c(cnn2C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine?
The InChIKey is GAKJWGBMJNBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-4-26-18-13(6-5-8-21-18)14-10-16(25-9-7-19(2,20)12-25)17-15(23-14)11-22-24(17)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine?
5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine has a molecular weight of 355.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-7-(3-fluoro-3-methylpyrrolidin-1-yl)-1-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).