4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

C60H50ClN15O5S — CID 161429132

IUPAC4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4ccc(Cl)cc4)nccn23)cc1
InChIInChI=1S/C21H20N6O3S.C20H15N5O.C19H15ClN4O/c1-14(28)26-17-6-4-16(5-7-17)19-13-25-21-20(23-10-11-27(19)21)24-12-15-2-8-18(9-3-15)31(22,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;20-15-5-1-13(2-6-15)11-22-18-19-23-12-17(24(19)10-9-21-18)14-3-7-16(25)8-4-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-10,13,26H,12H2,(H,22,23);1-10,12,25H,11H2,(H,21,22)
InChIKeyVXTUUIFVUVFXIP-UHFFFAOYSA-N
MW1128.68 g/mol
LogP10.57
Rot. Bonds14

About 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (PubChem CID 161429132) has the molecular formula C60H50ClN15O5S and a molecular weight of 1128.68 g/mol. Its IUPAC name is 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
PubChem CID161429132
Molecular FormulaC60H50ClN15O5S
Molecular Weight1128.68 g/mol
Exact Mass1127.35
IUPAC Name4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4ccc(Cl)cc4)nccn23)cc1
InChIInChI=1S/C21H20N6O3S.C20H15N5O.C19H15ClN4O/c1-14(28)26-17-6-4-16(5-7-17)19-13-25-21-20(23-10-11-27(19)21)24-12-15-2-8-18(9-3-15)31(22,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;20-15-5-1-13(2-6-15)11-22-18-19-23-12-17(24(19)10-9-21-18)14-3-7-16(25)8-4-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-10,13,26H,12H2,(H,22,23);1-10,12,25H,11H2,(H,21,22)
InChIKeyVXTUUIFVUVFXIP-UHFFFAOYSA-N
XLogP10.57
TPSA280.17 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001128.68
LogP ≤ 510.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The IUPAC name of 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (CID 161429132) is 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The canonical SMILES for 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc1.N#Cc1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4ccc(Cl)cc4)nccn23)cc1.
What is the InChIKey of 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The InChIKey is VXTUUIFVUVFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S.C20H15N5O.C19H15ClN4O/c1-14(28)26-17-6-4-16(5-7-17)19-13-25-21-20(23-10-11-27(19)21)24-12-15-2-8-18(9-3-15)31(22,29)30;21-11-14-1-3-15(4-2-14)12-23-19-20-24-13-18(25(20)10-9-22-19)16-5-7-17(26)8-6-16;20-15-5-1-13(2-6-15)11-22-18-19-23-12-17(24(19)10-9-21-18)14-3-7-16(25)8-4-14/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-10,13,26H,12H2,(H,22,23);1-10,12,25H,11H2,(H,21,22).
What are the key properties of 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide has a molecular weight of 1128.68 g/mol, XLogP of 10.57, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(4-chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzonitrile;N-[4-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 161429132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).