2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

C21H17FN4O2 — CID 135308148

IUPAC2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1
InChIInChI=1S/C21H17FN4O2/c22-17-5-3-14(4-6-17)2-1-9-26-20-13-24-19(11-16(20)12-25-26)18-10-15(21(27)28)7-8-23-18/h3-8,10-13H,1-2,9H2,(H,27,28)
InChIKeyBRIDUVDTOYZZAN-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.96
Rot. Bonds6

About 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308148) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308148
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1
InChIInChI=1S/C21H17FN4O2/c22-17-5-3-14(4-6-17)2-1-9-26-20-13-24-19(11-16(20)12-25-26)18-10-15(21(27)28)7-8-23-18/h3-8,10-13H,1-2,9H2,(H,27,28)
InChIKeyBRIDUVDTOYZZAN-UHFFFAOYSA-N
XLogP3.96
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
CID 135308170
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 118126981
2-[1-[2-[4-(prop-2-enoylamino)phenyl]ethyl]pyrrolo[2,3-c]pyridin-5-yl]pyridine-4-carboxylic acid
CID 135308370
2-(6-fluoro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113883
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[1-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
CID 85470886
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
CID 91811858
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
2-(1-butyl-3-carbamoylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylic acid
CID 135308290
3-(2-indazol-1-ylethoxy)benzoic acid
CID 62141673

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308148) is 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cnn(CCCc4ccc(F)cc4)c3cn2)c1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is BRIDUVDTOYZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-17-5-3-14(4-6-17)2-1-9-26-20-13-24-19(11-16(20)12-25-26)18-10-15(21(27)28)7-8-23-18/h3-8,10-13H,1-2,9H2,(H,27,28).
What are the key properties of 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 376.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)propyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).