1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C11H7F3N6O — CID 135169725

IUPAC1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2cncc3nccn23)nc1C(F)(F)F
InChIInChI=1S/C11H7F3N6O/c12-11(13,14)9-6(10(15)21)5-20(18-9)8-4-16-3-7-17-1-2-19(7)8/h1-5H,(H2,15,21)
InChIKeyLLCCTTZWNXXEIW-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.03
Rot. Bonds2

About 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 135169725) has the molecular formula C11H7F3N6O and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID135169725
Molecular FormulaC11H7F3N6O
Molecular Weight296.21 g/mol
Exact Mass296.06
IUPAC Name1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2cncc3nccn23)nc1C(F)(F)F
InChIInChI=1S/C11H7F3N6O/c12-11(13,14)9-6(10(15)21)5-20(18-9)8-4-16-3-7-17-1-2-19(7)8/h1-5H,(H2,15,21)
InChIKeyLLCCTTZWNXXEIW-UHFFFAOYSA-N
XLogP1.03
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 135169725) is 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1cn(-c2cncc3nccn23)nc1C(F)(F)F.
What is the InChIKey of 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LLCCTTZWNXXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6O/c12-11(13,14)9-6(10(15)21)5-20(18-9)8-4-16-3-7-17-1-2-19(7)8/h1-5H,(H2,15,21).
What are the key properties of 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 135169725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).