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

C41H40N10O6S2 — CID 162047750

IUPAC4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1C.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C21H21N5O3S.C20H19N5O3S/c1-14-11-16(5-8-19(14)29-2)18-13-25-21-20(23-9-10-26(18)21)24-12-15-3-6-17(7-4-15)30(22,27)28;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28/h3-11,13H,12H2,1-2H3,(H,23,24)(H2,22,27,28);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyYYCXYUFRUPQZJN-UHFFFAOYSA-N
MW832.97 g/mol
LogP5.64
Rot. Bonds11

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

4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 162047750) has the molecular formula C41H40N10O6S2 and a molecular weight of 832.97 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID162047750
Molecular FormulaC41H40N10O6S2
Molecular Weight832.97 g/mol
Exact Mass832.26
IUPAC Name4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1C.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O
InChIInChI=1S/C21H21N5O3S.C20H19N5O3S/c1-14-11-16(5-8-19(14)29-2)18-13-25-21-20(23-9-10-26(18)21)24-12-15-3-6-17(7-4-15)30(22,27)28;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28/h3-11,13H,12H2,1-2H3,(H,23,24)(H2,22,27,28);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyYYCXYUFRUPQZJN-UHFFFAOYSA-N
XLogP5.64
TPSA234.22 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.97
LogP ≤ 55.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
4-[[[3-(4-Hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135998280
4-[1-[[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide
CID 135998317
N-{[3-(2-methoxybenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-2,4,6-trimethyl-1-benzenesulfonamide
CID 16031217
4-methyl-N-[4-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]benzenesulfonamide
CID 155568966
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine
CID 155521771
N-({3-[(2-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)-4-(propan-2-YL)benzene-1-sulfonamide
CID 16031236
N-({3-[(2-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)-4-(2-methylpropyl)benzene-1-sulfonamide
CID 16031238
N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide
CID 155558989
4-methyl-N-[2-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide
CID 71092376
4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide
CID 71092379
N-({3-[(4-Ethoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)-4-ethylbenzene-1-sulfonamide
CID 16031290

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 162047750) is 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1C.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.
What is the InChIKey of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is YYCXYUFRUPQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S.C20H19N5O3S/c1-14-11-16(5-8-19(14)29-2)18-13-25-21-20(23-9-10-26(18)21)24-12-15-3-6-17(7-4-15)30(22,27)28;1-13-10-15(4-7-18(13)26)17-12-24-20-19(22-8-9-25(17)20)23-11-14-2-5-16(6-3-14)29(21,27)28/h3-11,13H,12H2,1-2H3,(H,23,24)(H2,22,27,28);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28).
What are the key properties of 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 832.97 g/mol, XLogP of 5.64, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 162047750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).