6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C19H12F2N4O2 — CID 71600250

IUPAC6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H12F2N4O2/c20-12-1-2-13(16(21)7-12)17-8-14(19(26)27)15-9-23-25(18(15)24-17)10-11-3-5-22-6-4-11/h1-9H,10H2,(H,26,27)
InChIKeyFPRVRQOUXGKTBV-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.52
Rot. Bonds4

About 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71600250) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71600250
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C19H12F2N4O2/c20-12-1-2-13(16(21)7-12)17-8-14(19(26)27)15-9-23-25(18(15)24-17)10-11-3-5-22-6-4-11/h1-9H,10H2,(H,26,27)
InChIKeyFPRVRQOUXGKTBV-UHFFFAOYSA-N
XLogP3.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71600250) is 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2F)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is FPRVRQOUXGKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c20-12-1-2-13(16(21)7-12)17-8-14(19(26)27)15-9-23-25(18(15)24-17)10-11-3-5-22-6-4-11/h1-9H,10H2,(H,26,27).
What are the key properties of 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 366.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).