N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C21H15F3N4O4S — CID 66613859

IUPACN-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C21H15F3N4O4S/c22-21(23,24)32-16-3-7-18(8-4-16)33(30,31)17-5-1-14(2-6-17)11-26-19(29)15-12-27-20-25-9-10-28(20)13-15/h1-10,12-13H,11H2,(H,26,29)
InChIKeyDDOJROWPARAJEP-UHFFFAOYSA-N
MW476.44 g/mol
LogP3.39
Rot. Bonds6

About N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 66613859) has the molecular formula C21H15F3N4O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID66613859
Molecular FormulaC21H15F3N4O4S
Molecular Weight476.44 g/mol
Exact Mass476.08
IUPAC NameN-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C21H15F3N4O4S/c22-21(23,24)32-16-3-7-18(8-4-16)33(30,31)17-5-1-14(2-6-17)11-26-19(29)15-12-27-20-25-9-10-28(20)13-15/h1-10,12-13H,11H2,(H,26,29)
InChIKeyDDOJROWPARAJEP-UHFFFAOYSA-N
XLogP3.39
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609844
N-[[4-(4-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90013144
N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90012908
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610455
N-[[4-[3-(2-methylpropylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610648
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943343
3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157320792
N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613723

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 66613859) is N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is DDOJROWPARAJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S/c22-21(23,24)32-16-3-7-18(8-4-16)33(30,31)17-5-1-14(2-6-17)11-26-19(29)15-12-27-20-25-9-10-28(20)13-15/h1-10,12-13H,11H2,(H,26,29).
What are the key properties of N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 476.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66613859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).