1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

C20H13F3N4O2 — CID 71600251

IUPAC1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-13(2-4-14)17-9-15(19(28)29)16-10-25-27(18(16)26-17)11-12-5-7-24-8-6-12/h1-10H,11H2,(H,28,29)
InChIKeyNNZQEBDELBUZBE-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.26
Rot. Bonds4

About 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600251) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600251
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-13(2-4-14)17-9-15(19(28)29)16-10-25-27(18(16)26-17)11-12-5-7-24-8-6-12/h1-10H,11H2,(H,28,29)
InChIKeyNNZQEBDELBUZBE-UHFFFAOYSA-N
XLogP4.26
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600251) is 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NNZQEBDELBUZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-13(2-4-14)17-9-15(19(28)29)16-10-25-27(18(16)26-17)11-12-5-7-24-8-6-12/h1-10H,11H2,(H,28,29).
What are the key properties of 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 398.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).