2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide

C18H11F4N5OS — CID 44539710

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cnc(NC(=O)c2nccn3cc(-c4ccc(F)cc4C(F)(F)F)nc23)s1
InChIInChI=1S/C18H11F4N5OS/c1-9-7-24-17(29-9)26-16(28)14-15-25-13(8-27(15)5-4-23-14)11-3-2-10(19)6-12(11)18(20,21)22/h2-8H,1H3,(H,24,26,28)
InChIKeyWJHFNFYPRYLNHV-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.57
Rot. Bonds3

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide

2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 44539710) has the molecular formula C18H11F4N5OS and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID44539710
Molecular FormulaC18H11F4N5OS
Molecular Weight421.38 g/mol
Exact Mass421.06
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cnc(NC(=O)c2nccn3cc(-c4ccc(F)cc4C(F)(F)F)nc23)s1
InChIInChI=1S/C18H11F4N5OS/c1-9-7-24-17(29-9)26-16(28)14-15-25-13(8-27(15)5-4-23-14)11-3-2-10(19)6-12(11)18(20,21)22/h2-8H,1H3,(H,24,26,28)
InChIKeyWJHFNFYPRYLNHV-UHFFFAOYSA-N
XLogP4.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide (CID 44539710) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide is Cc1cnc(NC(=O)c2nccn3cc(-c4ccc(F)cc4C(F)(F)F)nc23)s1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is WJHFNFYPRYLNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5OS/c1-9-7-24-17(29-9)26-16(28)14-15-25-13(8-27(15)5-4-23-14)11-3-2-10(19)6-12(11)18(20,21)22/h2-8H,1H3,(H,24,26,28).
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 44539710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).