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

C15H11F3N4OS — CID 171680277

IUPACN-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccc(SC(F)(F)F)cc1)c1cnc2cnccn12
InChIInChI=1S/C15H11F3N4OS/c16-15(17,18)24-11-3-1-10(2-4-11)7-21-14(23)12-8-20-13-9-19-5-6-22(12)13/h1-6,8-9H,7H2,(H,21,23)
InChIKeyQCHLAIOTEROJMO-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.27
Rot. Bonds4

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

N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 171680277) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID171680277
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC NameN-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccc(SC(F)(F)F)cc1)c1cnc2cnccn12
InChIInChI=1S/C15H11F3N4OS/c16-15(17,18)24-11-3-1-10(2-4-11)7-21-14(23)12-8-20-13-9-19-5-6-22(12)13/h1-6,8-9H,7H2,(H,21,23)
InChIKeyQCHLAIOTEROJMO-UHFFFAOYSA-N
XLogP3.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
CID 56966803
imidazo[1,2-a]pyrazine-3-carboxylic acid
CID 22024617
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 90653495
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 171680243
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146264079
2-isoquinolin-5-yl-2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide
CID 22032662
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686
N-[(4-bromophenyl)methyl]-N-ethylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680280
N-[(4-chlorophenyl)methyl]-4-[[3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxamide
CID 141097427
N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 110851649
N,N-dibutylimidazo[1,2-a]pyrazine-3-carboxamide
CID 171680276
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide
CID 156554587

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide (CID 171680277) is N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide is O=C(NCc1ccc(SC(F)(F)F)cc1)c1cnc2cnccn12.
What is the InChIKey of N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is QCHLAIOTEROJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c16-15(17,18)24-11-3-1-10(2-4-11)7-21-14(23)12-8-20-13-9-19-5-6-22(12)13/h1-6,8-9H,7H2,(H,21,23).
What are the key properties of N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide?
N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171680277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).