4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid

C22H18FN5O3 — CID 75095703

IUPAC4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31)
InChIKeyPPQXCYGRZJGIHB-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.53
Rot. Bonds6

About 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid

4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid (PubChem CID 75095703) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
PubChem CID75095703
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31)
InChIKeyPPQXCYGRZJGIHB-UHFFFAOYSA-N
XLogP3.53
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]amino}carbonyl)nicotinate
CID 24792048
US10889564, Example 9
CID 24794002
3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68287843
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68287853
3-[[[(1R)-1-(2,4-difluorophenyl)propyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68288297
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((6-(hydroxymethyl)pyridin-3-yl)amino)nicotinamide
CID 138704522
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(1H-pyrrolo[2,3-c]pyridine-5-carbonyl)amino]methyl]benzoic acid
CID 122178095
6-[(6-Acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704843
5-[4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-3-carbamoylpyrrolo[1,2-b]pyridazin-6-yl]pyridine-3-carboxylic acid
CID 91755106
US9738655, Example 220
CID 117601273

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid (CID 75095703) is 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
The InChIKey is PPQXCYGRZJGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-2-18(13-7-8-25-19(9-13)22(30)31)27-21(29)17-10-24-12-20-16(17)11-26-28(20)15-5-3-14(23)4-6-15/h3-12,18H,2H2,1H3,(H,27,29)(H,30,31).
What are the key properties of 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid?
4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid has a molecular weight of 419.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 75095703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).