N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C23H16F3N5O — CID 90157403

IUPACN-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc2cnc(C(=O)N(C)c3ccc(C#N)cc3)cn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N5O/c1-14-21(16-5-7-17(8-6-16)23(24,25)26)31-13-19(28-12-20(31)29-14)22(32)30(2)18-9-3-15(11-27)4-10-18/h3-10,12-13H,1-2H3
InChIKeyYNZRVTVSQHVEKK-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.87
Rot. Bonds3

About N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157403) has the molecular formula C23H16F3N5O and a molecular weight of 435.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157403
Molecular FormulaC23H16F3N5O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC NameN-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc2cnc(C(=O)N(C)c3ccc(C#N)cc3)cn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H16F3N5O/c1-14-21(16-5-7-17(8-6-16)23(24,25)26)31-13-19(28-12-20(31)29-14)22(32)30(2)18-9-3-15(11-27)4-10-18/h3-10,12-13H,1-2H3
InChIKeyYNZRVTVSQHVEKK-UHFFFAOYSA-N
XLogP4.87
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157403) is N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1nc2cnc(C(=O)N(C)c3ccc(C#N)cc3)cn2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YNZRVTVSQHVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O/c1-14-21(16-5-7-17(8-6-16)23(24,25)26)31-13-19(28-12-20(31)29-14)22(32)30(2)18-9-3-15(11-27)4-10-18/h3-10,12-13H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,2-dimethyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).