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

C59H50ClF4N15O9S3 — CID 158806734

IUPAC4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC(F)(F)F)cc4)cnc23)cc1
InChIInChI=1S/C20H16F3N5O3S.C20H19N5O4S.C19H15ClFN5O2S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-27-19-18(25-9-10-28(17)19)26-11-13-1-7-16(8-2-13)32(24,29)30;1-29-18-10-14(4-7-17(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;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28/h1-10,12H,11H2,(H,25,26)(H2,24,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-9,11H,10H2,(H,23,24)(H2,22,27,28)
InChIKeyIUDZKHCXHYSXBX-UHFFFAOYSA-N
MW1320.79 g/mol
LogP9.37
Rot. Bonds17

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

4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (PubChem CID 158806734) has the molecular formula C59H50ClF4N15O9S3 and a molecular weight of 1320.79 g/mol. Its IUPAC name is 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
PubChem CID158806734
Molecular FormulaC59H50ClF4N15O9S3
Molecular Weight1320.79 g/mol
Exact Mass1319.27
IUPAC Name4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
SMILESCOc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC(F)(F)F)cc4)cnc23)cc1
InChIInChI=1S/C20H16F3N5O3S.C20H19N5O4S.C19H15ClFN5O2S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-27-19-18(25-9-10-28(17)19)26-11-13-1-7-16(8-2-13)32(24,29)30;1-29-18-10-14(4-7-17(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;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28/h1-10,12H,11H2,(H,25,26)(H2,24,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-9,11H,10H2,(H,23,24)(H2,22,27,28)
InChIKeyIUDZKHCXHYSXBX-UHFFFAOYSA-N
XLogP9.37
TPSA345.83 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001320.79
LogP ≤ 59.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 157993960
4-[8-(1,3-Benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 160405943
4-[[[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;N-[4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide;3-(3,4-dimethoxyphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-[4-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(3-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 161721797
4-[[[3-(3-Hydroxy-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 53482134
4-[[[3-(4-Hydroxy-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931637
4-[[[3-(4-Hydroxy-3-methoxyphenyl)-5-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931639
4-[[[3-(3-Chloro-4-hydroxy-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931650
4-[[[3-(4-Hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931657
4-[[[3-(4-Hydroxy-3-methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135998274
4-[6-chloro-3-(2-methylanilino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol;2-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 145396865
4-[[[3-[4-(Hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157323305
4-[[[3-(4-Fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157394366

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide (CID 158806734) is 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is COc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(F)c(Cl)c4)cnc23)cc1.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC(F)(F)F)cc4)cnc23)cc1.
What is the InChIKey of 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
The InChIKey is IUDZKHCXHYSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S.C20H19N5O4S.C19H15ClFN5O2S/c21-20(22,23)31-15-5-3-14(4-6-15)17-12-27-19-18(25-9-10-28(17)19)26-11-13-1-7-16(8-2-13)32(24,29)30;1-29-18-10-14(4-7-17(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;20-15-9-13(3-6-16(15)21)17-11-25-19-18(23-7-8-26(17)19)24-10-12-1-4-14(5-2-12)29(22,27)28/h1-10,12H,11H2,(H,25,26)(H2,24,29,30);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28);1-9,11H,10H2,(H,23,24)(H2,22,27,28).
What are the key properties of 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide has a molecular weight of 1320.79 g/mol, XLogP of 9.37, 17 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 158806734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).