N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide

C15H10ClF3N4O — CID 171680250

IUPACN-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC(c1cccc(Cl)c1)C(F)(F)F)c1cnc2cnccn12
InChIInChI=1S/C15H10ClF3N4O/c16-10-3-1-2-9(6-10)13(15(17,18)19)22-14(24)11-7-21-12-8-20-4-5-23(11)12/h1-8,13H,(H,22,24)
InChIKeyGECMTCHLCQSUTE-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide

N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 171680250) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID171680250
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC NameN-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC(c1cccc(Cl)c1)C(F)(F)F)c1cnc2cnccn12
InChIInChI=1S/C15H10ClF3N4O/c16-10-3-1-2-9(6-10)13(15(17,18)19)22-14(24)11-7-21-12-8-20-4-5-23(11)12/h1-8,13H,(H,22,24)
InChIKeyGECMTCHLCQSUTE-UHFFFAOYSA-N
XLogP3.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680237
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617
N-[2-methyl-5-[2,2,2-trifluoro-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123197112
N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680277
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680243
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141401814
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 142643393
7-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55265824
2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
CID 167930241
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide (CID 171680250) is N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide is O=C(NC(c1cccc(Cl)c1)C(F)(F)F)c1cnc2cnccn12.
What is the InChIKey of N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is GECMTCHLCQSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-10-3-1-2-9(6-10)13(15(17,18)19)22-14(24)11-7-21-12-8-20-4-5-23(11)12/h1-8,13H,(H,22,24).
What are the key properties of N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 354.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2,2,2-trifluoroethyl]imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171680250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).