N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H22F3N5O3S — CID 90012672

IUPACN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H22F3N5O3S/c22-21(23,24)15-27-9-11-29(12-10-27)33(31,32)18-4-1-16(2-5-18)13-26-20(30)17-3-6-19-25-7-8-28(19)14-17/h1-8,14H,9-13,15H2,(H,26,30)
InChIKeyDSCGUVKUDRCFOM-UHFFFAOYSA-N
MW481.50 g/mol
LogP2.13
Rot. Bonds6

About N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90012672) has the molecular formula C21H22F3N5O3S and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90012672
Molecular FormulaC21H22F3N5O3S
Molecular Weight481.50 g/mol
Exact Mass481.14
IUPAC NameN-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H22F3N5O3S/c22-21(23,24)15-27-9-11-29(12-10-27)33(31,32)18-4-1-16(2-5-18)13-26-20(30)17-3-6-19-25-7-8-28(19)14-17/h1-8,14H,9-13,15H2,(H,26,30)
InChIKeyDSCGUVKUDRCFOM-UHFFFAOYSA-N
XLogP2.13
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90012672) is N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is DSCGUVKUDRCFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3S/c22-21(23,24)15-27-9-11-29(12-10-27)33(31,32)18-4-1-16(2-5-18)13-26-20(30)17-3-6-19-25-7-8-28(19)14-17/h1-8,14H,9-13,15H2,(H,26,30).
What are the key properties of N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90012672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).