5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

C20H15FN4O3S — CID 162757299

IUPAC5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCc1nc(Cn2cccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H15FN4O3S/c1-11-19(29-18(23-11)10-25-7-3-6-22-25)16-5-2-4-15(24-16)12-9-17(26)13(20(27)28)8-14(12)21/h2-9,26H,10H2,1H3,(H,27,28)
InChIKeyYGEFSZPDPYJRKK-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.97
Rot. Bonds5

About 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (PubChem CID 162757299) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
PubChem CID162757299
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
SMILESCc1nc(Cn2cccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H15FN4O3S/c1-11-19(29-18(23-11)10-25-7-3-6-22-25)16-5-2-4-15(24-16)12-9-17(26)13(20(27)28)8-14(12)21/h2-9,26H,10H2,1H3,(H,27,28)
InChIKeyYGEFSZPDPYJRKK-UHFFFAOYSA-N
XLogP3.97
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (CID 162757299) is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is Cc1nc(Cn2cccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
The InChIKey is YGEFSZPDPYJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-11-19(29-18(23-11)10-25-7-3-6-22-25)16-5-2-4-15(24-16)12-9-17(26)13(20(27)28)8-14(12)21/h2-9,26H,10H2,1H3,(H,27,28).
What are the key properties of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?
5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid has a molecular weight of 410.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyrazol-1-ylmethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 162757299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).