4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid

C15H12FN3O2 — CID 63312195

IUPAC4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(F)c(NCc2cnn3ccccc23)c1
InChIInChI=1S/C15H12FN3O2/c16-12-5-4-10(15(20)21)7-13(12)17-8-11-9-18-19-6-2-1-3-14(11)19/h1-7,9,17H,8H2,(H,20,21)
InChIKeySKHWMSCTILFKAM-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.78
Rot. Bonds4

About 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid

4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid (PubChem CID 63312195) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
PubChem CID63312195
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1ccc(F)c(NCc2cnn3ccccc23)c1
InChIInChI=1S/C15H12FN3O2/c16-12-5-4-10(15(20)21)7-13(12)17-8-11-9-18-19-6-2-1-3-14(11)19/h1-7,9,17H,8H2,(H,20,21)
InChIKeySKHWMSCTILFKAM-UHFFFAOYSA-N
XLogP2.78
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311958
2,3-difluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315086
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-fluorobenzoic acid
CID 79578895
3-[(2-ethylphenyl)methylamino]-4-fluorobenzoic acid
CID 62391430
2-[2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)phenyl]acetamide
CID 63315386
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 81270312
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
4-fluoro-2-methoxy-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315130
3-(1-benzothiophen-3-ylmethylamino)-4-fluorobenzoic acid
CID 62698098
3-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538443
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid?
The IUPAC name of 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid (CID 63312195) is 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid?
The canonical SMILES for 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid is O=C(O)c1ccc(F)c(NCc2cnn3ccccc23)c1.
What is the InChIKey of 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid?
The InChIKey is SKHWMSCTILFKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-5-4-10(15(20)21)7-13(12)17-8-11-9-18-19-6-2-1-3-14(11)19/h1-7,9,17H,8H2,(H,20,21).
What are the key properties of 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid?
4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid has a molecular weight of 285.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid is sourced from PubChem (CID 63312195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).