4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid

C20H15FN4O4S — CID 169320189

IUPAC4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1ccn(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C20H15FN4O4S/c1-11-19(30-18(23-11)10-29-17-5-2-12(21)9-22-17)15-6-7-25(24-15)13-3-4-14(20(27)28)16(26)8-13/h2-9,26H,10H2,1H3,(H,27,28)
InChIKeyMFRZIZZJMKQHBD-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.82
Rot. Bonds6

About 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid

4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid (PubChem CID 169320189) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid
PubChem CID169320189
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid
SMILESCc1nc(COc2ccc(F)cn2)sc1-c1ccn(-c2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C20H15FN4O4S/c1-11-19(30-18(23-11)10-29-17-5-2-12(21)9-22-17)15-6-7-25(24-15)13-3-4-14(20(27)28)16(26)8-13/h2-9,26H,10H2,1H3,(H,27,28)
InChIKeyMFRZIZZJMKQHBD-UHFFFAOYSA-N
XLogP3.82
TPSA110.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid with MolForge

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Related Compounds

US20230348450, Example 19
CID 162757075
US20230348450, Example 146
CID 162757085
US20230348450, Example 219
CID 162757106
US20230348450, Example 18
CID 162757113
US20230348450, Example 218
CID 162757190
US20230348450, Example 164
CID 162757209
US20230348450, Example 163
CID 162757232
US20230348450, Example 131
CID 162757282
US20230348450, Example 17
CID 162757351
US20230348450, Example 26
CID 162757434
US20230348450, Example 20
CID 162757033
US20230348450, Example 341
CID 162757058

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid (CID 169320189) is 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid is Cc1nc(COc2ccc(F)cn2)sc1-c1ccn(-c2ccc(C(=O)O)c(O)c2)n1.
What is the InChIKey of 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid?
The InChIKey is MFRZIZZJMKQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-11-19(30-18(23-11)10-29-17-5-2-12(21)9-22-17)15-6-7-25(24-15)13-3-4-14(20(27)28)16(26)8-13/h2-9,26H,10H2,1H3,(H,27,28).
What are the key properties of 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid?
4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid has a molecular weight of 426.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(5-fluoro-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 169320189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).