5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

C20H23N5O3S — CID 55395152

IUPAC5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn12
InChIInChI=1S/C20H23N5O3S/c1-15-4-3-5-19-22-18(14-25(15)19)20(26)21-16-6-8-17(9-7-16)29(27,28)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,21,26)
InChIKeyYHBQUNZMGDLOKS-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.83
Rot. Bonds4

About 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide

5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 55395152) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID55395152
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn12
InChIInChI=1S/C20H23N5O3S/c1-15-4-3-5-19-22-18(14-25(15)19)20(26)21-16-6-8-17(9-7-16)29(27,28)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,21,26)
InChIKeyYHBQUNZMGDLOKS-UHFFFAOYSA-N
XLogP1.83
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 41170489
5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55332921
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 26202304
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoate
CID 17175247
7-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 38930369
4-(chloromethyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 169172264
6-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 25325089
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 55395152) is 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cn12.
What is the InChIKey of 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YHBQUNZMGDLOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-15-4-3-5-19-22-18(14-25(15)19)20(26)21-16-6-8-17(9-7-16)29(27,28)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,21,26).
What are the key properties of 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide?
5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 55395152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).