4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

C59H53N13O6S — CID 158287896

About 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 158287896) has the molecular formula C59H53N13O6S and a molecular weight of 1072.22 g/mol. Its IUPAC name is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

• Compound Name: 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• PubChem CID: 158287896
• Molecular Formula: C59H53N13O6S
• Molecular Weight: 1072.22 g/mol
• Exact Mass: 1071.40
• IUPAC Name: 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
• SMILES: COc1ccc(-c2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)nccn23)cc1OC.Oc1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1.Oc1ccc(-c2cnc3c(NCc4ccncc4)nccn23)cc1
• InChI: InChI=1S/C22H22N4O4S.C19H16N4O.C18H15N5O/c1-29-19-9-6-16(12-20(19)30-2)18-14-25-22-21(23-10-11-26(18)22)24-13-15-4-7-17(8-5-15)31(3,27)28;24-16-8-6-15(7-9-16)17-13-22-19-18(20-10-11-23(17)19)21-12-14-4-2-1-3-5-14;24-15-3-1-14(2-4-15)16-12-22-18-17(20-9-10-23(16)18)21-11-13-5-7-19-8-6-13/h4-12,14H,13H2,1-3H3,(H,23,24);1-11,13,24H,12H2,(H,20,21);1-10,12,24H,11H2,(H,20,21)
• InChIKey: GKZUCSNLOMZBKR-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 232.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.22
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 158287896) is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.

What is the SMILES notation for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The canonical SMILES for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCc4ccc(S(C)(=O)=O)cc4)nccn23)cc1OC.Oc1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1.Oc1ccc(-c2cnc3c(NCc4ccncc4)nccn23)cc1.

What is the InChIKey of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

The InChIKey is GKZUCSNLOMZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S.C19H16N4O.C18H15N5O/c1-29-19-9-6-16(12-20(19)30-2)18-14-25-22-21(23-10-11-26(18)22)24-13-15-4-7-17(8-5-15)31(3,27)28;24-16-8-6-15(7-9-16)17-13-22-19-18(20-10-11-23(17)19)21-12-14-4-2-1-3-5-14;24-15-3-1-14(2-4-15)16-12-22-18-17(20-9-10-23(16)18)21-11-13-5-7-19-8-6-13/h4-12,14H,13H2,1-3H3,(H,23,24);1-11,13,24H,12H2,(H,20,21);1-10,12,24H,11H2,(H,20,21).

What are the key properties of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 1072.22 g/mol, XLogP of 10.25, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 158287896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).