N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C18H10F3N7O — CID 90157138

IUPACN-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESN#Cc1[nH]cnc1NC(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C18H10F3N7O/c19-18(20,21)11-3-1-10(2-4-11)14-6-24-15-7-23-13(8-28(14)15)17(29)27-16-12(5-22)25-9-26-16/h1-4,6-9H,(H,25,26)(H,27,29)
InChIKeyBFTLYYWLVLLVMK-UHFFFAOYSA-N
MW397.32 g/mol
LogP3.26
Rot. Bonds3

About N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157138) has the molecular formula C18H10F3N7O and a molecular weight of 397.32 g/mol. Its IUPAC name is N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157138
Molecular FormulaC18H10F3N7O
Molecular Weight397.32 g/mol
Exact Mass397.09
IUPAC NameN-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESN#Cc1[nH]cnc1NC(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C18H10F3N7O/c19-18(20,21)11-3-1-10(2-4-11)14-6-24-15-7-23-13(8-28(14)15)17(29)27-16-12(5-22)25-9-26-16/h1-4,6-9H,(H,25,26)(H,27,29)
InChIKeyBFTLYYWLVLLVMK-UHFFFAOYSA-N
XLogP3.26
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157138) is N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is N#Cc1[nH]cnc1NC(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1.
What is the InChIKey of N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is BFTLYYWLVLLVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N7O/c19-18(20,21)11-3-1-10(2-4-11)14-6-24-15-7-23-13(8-28(14)15)17(29)27-16-12(5-22)25-9-26-16/h1-4,6-9H,(H,25,26)(H,27,29).
What are the key properties of N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 397.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1H-imidazol-4-yl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).