8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C21H17F2N3O2S — CID 58207979

IUPAC8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Cc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C21H17F2N3O2S/c1-11(2)5-19-24-8-18(29-19)12-6-15(14-4-3-13(22)7-16(14)23)20-25-17(21(27)28)10-26(20)9-12/h3-4,6-11H,5H2,1-2H3,(H,27,28)
InChIKeyRDVCASGVDGATNN-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.30
Rot. Bonds5

About 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 58207979) has the molecular formula C21H17F2N3O2S and a molecular weight of 413.45 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID58207979
Molecular FormulaC21H17F2N3O2S
Molecular Weight413.45 g/mol
Exact Mass413.10
IUPAC Name8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Cc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C21H17F2N3O2S/c1-11(2)5-19-24-8-18(29-19)12-6-15(14-4-3-13(22)7-16(14)23)20-25-17(21(27)28)10-26(20)9-12/h3-4,6-11H,5H2,1-2H3,(H,27,28)
InChIKeyRDVCASGVDGATNN-UHFFFAOYSA-N
XLogP5.30
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 58207979) is 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)Cc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1.
What is the InChIKey of 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RDVCASGVDGATNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2S/c1-11(2)5-19-24-8-18(29-19)12-6-15(14-4-3-13(22)7-16(14)23)20-25-17(21(27)28)10-26(20)9-12/h3-4,6-11H,5H2,1-2H3,(H,27,28).
What are the key properties of 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 413.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 58207979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).