N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C21H14F3N7O — CID 90157996

IUPACN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1cccc2nncn12
InChIInChI=1S/C21H14F3N7O/c1-29(19-4-2-3-17-28-27-12-31(17)19)20(32)15-11-30-16(9-26-18(30)10-25-15)13-5-7-14(8-6-13)21(22,23)24/h2-12H,1H3
InChIKeyKQBBJLRPOYVEFP-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.73
Rot. Bonds3

About N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157996) has the molecular formula C21H14F3N7O and a molecular weight of 437.39 g/mol. Its IUPAC name is N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157996
Molecular FormulaC21H14F3N7O
Molecular Weight437.39 g/mol
Exact Mass437.12
IUPAC NameN-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1cccc2nncn12
InChIInChI=1S/C21H14F3N7O/c1-29(19-4-2-3-17-28-27-12-31(17)19)20(32)15-11-30-16(9-26-18(30)10-25-15)13-5-7-14(8-6-13)21(22,23)24/h2-12H,1H3
InChIKeyKQBBJLRPOYVEFP-UHFFFAOYSA-N
XLogP3.73
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157996) is N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1cccc2nncn12.
What is the InChIKey of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KQBBJLRPOYVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7O/c1-29(19-4-2-3-17-28-27-12-31(17)19)20(32)15-11-30-16(9-26-18(30)10-25-15)13-5-7-14(8-6-13)21(22,23)24/h2-12H,1H3.
What are the key properties of N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 437.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).