N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C21H13F3N6O — CID 74767110

IUPACN-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(C#N)nc1
InChIInChI=1S/C21H13F3N6O/c1-29(16-7-6-15(8-25)26-9-16)20(31)17-12-30-18(10-28-19(30)11-27-17)13-2-4-14(5-3-13)21(22,23)24/h2-7,9-12H,1H3
InChIKeyYOLQYBRDVZJFEO-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.96
Rot. Bonds3

About N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 74767110) has the molecular formula C21H13F3N6O and a molecular weight of 422.37 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID74767110
Molecular FormulaC21H13F3N6O
Molecular Weight422.37 g/mol
Exact Mass422.11
IUPAC NameN-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(C#N)nc1
InChIInChI=1S/C21H13F3N6O/c1-29(16-7-6-15(8-25)26-9-16)20(31)17-12-30-18(10-28-19(30)11-27-17)13-2-4-14(5-3-13)21(22,23)24/h2-7,9-12H,1H3
InChIKeyYOLQYBRDVZJFEO-UHFFFAOYSA-N
XLogP3.96
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 74767110) is N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(C#N)nc1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YOLQYBRDVZJFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O/c1-29(16-7-6-15(8-25)26-9-16)20(31)17-12-30-18(10-28-19(30)11-27-17)13-2-4-14(5-3-13)21(22,23)24/h2-7,9-12H,1H3.
What are the key properties of N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 74767110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).