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

C22H17F3N4O — CID 90176026

IUPACN-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccccc4C(F)(F)F)cn23)cc1
InChIInChI=1S/C22H17F3N4O/c1-14-7-9-15(10-8-14)19-11-27-20-12-26-17(13-29(19)20)21(30)28(2)18-6-4-3-5-16(18)22(23,24)25/h3-13H,1-2H3
InChIKeyAPZHYHVLKOWCFX-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.00
Rot. Bonds3

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

N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90176026) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90176026
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccccc4C(F)(F)F)cn23)cc1
InChIInChI=1S/C22H17F3N4O/c1-14-7-9-15(10-8-14)19-11-27-20-12-26-17(13-29(19)20)21(30)28(2)18-6-4-3-5-16(18)22(23,24)25/h3-13H,1-2H3
InChIKeyAPZHYHVLKOWCFX-UHFFFAOYSA-N
XLogP5.00
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90176026) is N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccccc4C(F)(F)F)cn23)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is APZHYHVLKOWCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-14-7-9-15(10-8-14)19-11-27-20-12-26-17(13-29(19)20)21(30)28(2)18-6-4-3-5-16(18)22(23,24)25/h3-13H,1-2H3.
What are the key properties of N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90176026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).