7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide

C19H16FN5O2S — CID 177042891

IUPAC7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2cc(-c3nc(F)cs3)nc2c(C(N)=O)c1N
InChIInChI=1S/C19H16FN5O2S/c1-8-3-4-12(26)9(2)14(8)10-5-25-6-11(19-24-13(20)7-28-19)23-18(25)15(16(10)21)17(22)27/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKeyPTGGVGQXGKMJQD-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.27
Rot. Bonds3

About 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide

7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 177042891) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID177042891
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cn2cc(-c3nc(F)cs3)nc2c(C(N)=O)c1N
InChIInChI=1S/C19H16FN5O2S/c1-8-3-4-12(26)9(2)14(8)10-5-25-6-11(19-24-13(20)7-28-19)23-18(25)15(16(10)21)17(22)27/h3-7,26H,21H2,1-2H3,(H2,22,27)
InChIKeyPTGGVGQXGKMJQD-UHFFFAOYSA-N
XLogP3.27
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 177042891) is 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide is Cc1ccc(O)c(C)c1-c1cn2cc(-c3nc(F)cs3)nc2c(C(N)=O)c1N.
What is the InChIKey of 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is PTGGVGQXGKMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-8-3-4-12(26)9(2)14(8)10-5-25-6-11(19-24-13(20)7-28-19)23-18(25)15(16(10)21)17(22)27/h3-7,26H,21H2,1-2H3,(H2,22,27).
What are the key properties of 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-fluoro-1,3-thiazol-2-yl)-6-(3-hydroxy-2,6-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).