4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

C20H19N5O3S — CID 25206490

IUPAC4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1
InChIInChI=1S/C20H19N5O3S/c1-28-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-25(18)20)23-12-14-5-7-17(8-6-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27)
InChIKeyAZKVCNHKAWGBGL-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.66
Rot. Bonds6

About 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide

4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 25206490) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID25206490
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1
InChIInChI=1S/C20H19N5O3S/c1-28-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-25(18)20)23-12-14-5-7-17(8-6-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27)
InChIKeyAZKVCNHKAWGBGL-UHFFFAOYSA-N
XLogP2.66
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
2-Benzyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 42641405
4-((3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzenesulfonamide
CID 44530411
2-(2-Methoxy-4-(methylsulfinyl)phenyl)imidazo[1,2-a]pyrazine
CID 14116989
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
Antiproliferative agent-14
CID 86280647
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
4-[2-(3-Fluoro-5-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10740567
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 24985568
4-((3-(4-(Trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-ylamino)methyl)benzene-sulfonamide
CID 25103806

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 25206490) is 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.
What is the InChIKey of 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is AZKVCNHKAWGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-28-16-4-2-3-15(11-16)18-13-24-20-19(22-9-10-25(18)20)23-12-14-5-7-17(8-6-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,23)(H2,21,26,27).
What are the key properties of 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 25206490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).