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

C22H17F3N4O4S — CID 66608848

IUPACN-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1
InChIInChI=1S/C22H17F3N4O4S/c1-33-18-10-16(22(23,24)25)4-7-19(18)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-10,12-13H,11H2,1H3,(H,27,30)
InChIKeyOJXZPPRWJMAOEP-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.52
Rot. Bonds6

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

N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 66608848) has the molecular formula C22H17F3N4O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID66608848
Molecular FormulaC22H17F3N4O4S
Molecular Weight490.46 g/mol
Exact Mass490.09
IUPAC NameN-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1
InChIInChI=1S/C22H17F3N4O4S/c1-33-18-10-16(22(23,24)25)4-7-19(18)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-10,12-13H,11H2,1H3,(H,27,30)
InChIKeyOJXZPPRWJMAOEP-UHFFFAOYSA-N
XLogP3.52
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 66608848) is N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is COc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.
What is the InChIKey of N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is OJXZPPRWJMAOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S/c1-33-18-10-16(22(23,24)25)4-7-19(18)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-10,12-13H,11H2,1H3,(H,27,30).
What are the key properties of N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 490.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66608848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).