4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C19H13FN4O2 — CID 44561627

IUPAC4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(F)c1
InChIInChI=1S/C19H13FN4O2/c20-12-5-4-6-13(9-12)23-17-15-11-22-24(14-7-2-1-3-8-14)18(15)21-10-16(17)19(25)26/h1-11H,(H,21,23)(H,25,26)
InChIKeyCDUMSMGLCGECCE-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.00
Rot. Bonds4

About 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 44561627) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID44561627
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(F)c1
InChIInChI=1S/C19H13FN4O2/c20-12-5-4-6-13(9-12)23-17-15-11-22-24(14-7-2-1-3-8-14)18(15)21-10-16(17)19(25)26/h1-11H,(H,21,23)(H,25,26)
InChIKeyCDUMSMGLCGECCE-UHFFFAOYSA-N
XLogP4.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cartazolate
CID 37015
5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199142
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 845965
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
CID 660250
3-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-benzoic acid
CID 721046

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 44561627) is 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(F)c1.
What is the InChIKey of 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is CDUMSMGLCGECCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-12-5-4-6-13(9-12)23-17-15-11-22-24(14-7-2-1-3-8-14)18(15)21-10-16(17)19(25)26/h1-11H,(H,21,23)(H,25,26).
What are the key properties of 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 348.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).