N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C23H21F5N4O — CID 167414128

IUPACN-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN1Cc2nc(C(=O)NCC(F)(F)c3cccc(C(F)(F)F)c3)cn2CC1c1ccccc1
InChIInChI=1S/C23H21F5N4O/c1-31-13-20-30-18(11-32(20)12-19(31)15-6-3-2-4-7-15)21(33)29-14-22(24,25)16-8-5-9-17(10-16)23(26,27)28/h2-11,19H,12-14H2,1H3,(H,29,33)
InChIKeyLYLXUYCBDGTPCO-UHFFFAOYSA-N
MW464.44 g/mol
LogP4.61
Rot. Bonds5

About N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 167414128) has the molecular formula C23H21F5N4O and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID167414128
Molecular FormulaC23H21F5N4O
Molecular Weight464.44 g/mol
Exact Mass464.16
IUPAC NameN-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN1Cc2nc(C(=O)NCC(F)(F)c3cccc(C(F)(F)F)c3)cn2CC1c1ccccc1
InChIInChI=1S/C23H21F5N4O/c1-31-13-20-30-18(11-32(20)12-19(31)15-6-3-2-4-7-15)21(33)29-14-22(24,25)16-8-5-9-17(10-16)23(26,27)28/h2-11,19H,12-14H2,1H3,(H,29,33)
InChIKeyLYLXUYCBDGTPCO-UHFFFAOYSA-N
XLogP4.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-[(2R)-butan-2-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013088
(6S)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013368
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013332
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
(6R)-6-[3,5-bis(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013372
(6S)-N-[(3R)-2-oxoazepan-3-yl]-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013114
1-[(2S,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 99819653
ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 167414128) is N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CN1Cc2nc(C(=O)NCC(F)(F)c3cccc(C(F)(F)F)c3)cn2CC1c1ccccc1.
What is the InChIKey of N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is LYLXUYCBDGTPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N4O/c1-31-13-20-30-18(11-32(20)12-19(31)15-6-3-2-4-7-15)21(33)29-14-22(24,25)16-8-5-9-17(10-16)23(26,27)28/h2-11,19H,12-14H2,1H3,(H,29,33).
What are the key properties of N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-[3-(trifluoromethyl)phenyl]ethyl]-7-methyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).