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

C20H19N5O4S — CID 53482134

IUPAC4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1O
InChIInChI=1S/C20H19N5O4S/c1-29-18-7-4-14(10-17(18)26)16-12-24-20-19(22-8-9-25(16)20)23-11-13-2-5-15(6-3-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyXCZIBPSJGAJBAU-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.37
Rot. Bonds6

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

4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 53482134) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID53482134
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1O
InChIInChI=1S/C20H19N5O4S/c1-29-18-7-4-14(10-17(18)26)16-12-24-20-19(22-8-9-25(16)20)23-11-13-2-5-15(6-3-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyXCZIBPSJGAJBAU-UHFFFAOYSA-N
XLogP2.37
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
4-[3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 7106793
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
4-[[[3-(4-Methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 44530410
N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925576
1-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]quinoxalin-4-amine
CID 121457308

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 53482134) is 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1O.
What is the InChIKey of 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is XCZIBPSJGAJBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-29-18-7-4-14(10-17(18)26)16-12-24-20-19(22-8-9-25(16)20)23-11-13-2-5-15(6-3-13)30(21,27)28/h2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28).
What are the key properties of 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 425.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 53482134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).