N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
C116H99ClN28O12S3 — CID 158890061
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1ccc(-c2cnc3c(NCc4cccc(Cl)c4)nccn23)cc1.COc1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1OC.N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccccc4)cnc23)cc1.O=C(O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4cccnc4)nccn23)cc1
InChIInChI=1S/C20H17ClN4O.C20H16N6O3S.C20H16N4O3.C19H17N5O2S.C19H18N4O2S.C18H15N5O/c1-26-17-7-5-15(6-8-17)18-13-24-20-19(22-9-10-25(18)20)23-12-14-3-2-4-16(21)11-14;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29;25-16-7-5-14(6-8-16)17-12-23-19-18(21-9-10-24(17)19)22-11-13-1-3-15(4-2-13)20(26)27;20-27(25,26)16-8-6-14(7-9-16)12-22-18-19-23-13-17(24(19)11-10-21-18)15-4-2-1-3-5-15;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;24-15-5-3-14(4-6-15)16-12-22-18-17(20-8-9-23(16)18)21-11-13-2-1-7-19-10-13/h2-11,13H,12H2,1H3,(H,22,23);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29);1-10,12,25H,11H2,(H,21,22)(H,26,27);1-11,13H,12H2,(H,21,22)(H2,20,25,26);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21)
InChIKeyJECQZNKEBKKVDB-UHFFFAOYSA-N
MW2208.91 g/mol
LogP20.17
Rot. Bonds30
About N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 158890061) has the molecular formula C116H99ClN28O12S3 and a molecular weight of 2208.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.
Molecular Properties
| Compound Name | N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol |
|---|---|
| PubChem CID | 158890061 |
| Molecular Formula | C116H99ClN28O12S3 |
| Molecular Weight | 2208.91 g/mol |
| Exact Mass | 2206.68 |
| IUPAC Name | N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol |
| SMILES | COc1ccc(-c2cnc3c(NCc4cccc(Cl)c4)nccn23)cc1.COc1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1OC.N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccccc4)cnc23)cc1.O=C(O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4cccnc4)nccn23)cc1 |
| InChI | InChI=1S/C20H17ClN4O.C20H16N6O3S.C20H16N4O3.C19H17N5O2S.C19H18N4O2S.C18H15N5O/c1-26-17-7-5-15(6-8-17)18-13-24-20-19(22-9-10-25(18)20)23-12-14-3-2-4-16(21)11-14;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29;25-16-7-5-14(6-8-16)17-12-23-19-18(21-9-10-24(17)19)22-11-13-1-3-15(4-2-13)20(26)27;20-27(25,26)16-8-6-14(7-9-16)12-22-18-19-23-13-17(24(19)11-10-21-18)15-4-2-1-3-5-15;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;24-15-5-3-14(4-6-15)16-12-22-18-17(20-8-9-23(16)18)21-11-13-2-1-7-19-10-13/h2-11,13H,12H2,1H3,(H,22,23);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29);1-10,12,25H,11H2,(H,21,22)(H,26,27);1-11,13H,12H2,(H,21,22)(H2,20,25,26);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21) |
| InChIKey | JECQZNKEBKKVDB-UHFFFAOYSA-N |
| XLogP | 20.17 |
| TPSA | 536.00 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 160 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2208.91 |
| LogP ≤ 5 | 20.17 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 158890061) is N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is COc1ccc(-c2cnc3c(NCc4cccc(Cl)c4)nccn23)cc1.COc1ccc(-c2cnc3c(NCc4cccs4)nccn23)cc1OC.N#Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.NS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccccc4)cnc23)cc1.O=C(O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.Oc1ccc(-c2cnc3c(NCc4cccnc4)nccn23)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is JECQZNKEBKKVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O.C20H16N6O3S.C20H16N4O3.C19H17N5O2S.C19H18N4O2S.C18H15N5O/c1-26-17-7-5-15(6-8-17)18-13-24-20-19(22-9-10-25(18)20)23-12-14-3-2-4-16(21)11-14;21-10-15-9-14(3-6-18(15)27)17-12-25-20-19(23-7-8-26(17)20)24-11-13-1-4-16(5-2-13)30(22,28)29;25-16-7-5-14(6-8-16)17-12-23-19-18(21-9-10-24(17)19)22-11-13-1-3-15(4-2-13)20(26)27;20-27(25,26)16-8-6-14(7-9-16)12-22-18-19-23-13-17(24(19)11-10-21-18)15-4-2-1-3-5-15;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;24-15-5-3-14(4-6-15)16-12-22-18-17(20-8-9-23(16)18)21-11-13-2-1-7-19-10-13/h2-11,13H,12H2,1H3,(H,22,23);1-9,12,27H,11H2,(H,23,24)(H2,22,28,29);1-10,12,25H,11H2,(H,21,22)(H,26,27);1-11,13H,12H2,(H,21,22)(H2,20,25,26);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol?
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 2208.91 g/mol, XLogP of 20.17, 30 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-cyano-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[(3-phenylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzenesulfonamide;4-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 158890061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158890061 — identifiers, structure, computed properties (public domain)
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