3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid

C23H17F2N3O3 — CID 67419747

IUPAC3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(F)c(-c3cc(C(=O)O)ccc3C)cc12
InChIInChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)9-16(12)17-10-19-20(22(29)26-2)21(27-28(19)11-18(17)25)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31)
InChIKeyRUJSVMKHGBGSSG-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.31
Rot. Bonds4

About 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid

3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (PubChem CID 67419747) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
PubChem CID67419747
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Name3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(F)c(-c3cc(C(=O)O)ccc3C)cc12
InChIInChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)9-16(12)17-10-19-20(22(29)26-2)21(27-28(19)11-18(17)25)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31)
InChIKeyRUJSVMKHGBGSSG-UHFFFAOYSA-N
XLogP4.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7,7,10,10-Tetramethyl-1-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indazol-3-yl]benzoic acid
CID 10458344
4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25003075
(S)-4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 46890659
(S)-4-(1-(1-(3-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 24765671
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
4-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305819
2-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzoic acid
CID 86305917
Niraparib metabolite M1
CID 118737587
2-[4-[[2,3-Dimethyl-5-(pyridin-3-ylmethylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 122179686
3-[(1-Acetylindole-3-carbonyl)amino]-5-(1-methylindazol-5-yl)benzoic acid
CID 141736374

Frequently Asked Questions

What is the IUPAC name of 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The IUPAC name of 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (CID 67419747) is 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The canonical SMILES for 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(F)c(-c3cc(C(=O)O)ccc3C)cc12.
What is the InChIKey of 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The InChIKey is RUJSVMKHGBGSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-12-3-4-14(23(30)31)9-16(12)17-10-19-20(22(29)26-2)21(27-28(19)11-18(17)25)13-5-7-15(24)8-6-13/h3-11H,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid has a molecular weight of 421.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is sourced from PubChem (CID 67419747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).