N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
C96H93N27O2S3 — CID 123691717
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
SMILESCN(C)S(=O)(=O)c1ccc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1.Cn1cc(-c2cnc3c(Nc4cc5ccccc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5ncccc5c4)nc(C4=CCCCC4)cn23)cn1
InChIInChI=1S/C25H23N7.C24H27N7O2S.C24H22N6S.C23H21N7S/c1-31-15-19(13-28-31)23-14-27-25-24(29-20-9-10-21-18(12-20)8-5-11-26-21)30-22(16-32(23)25)17-6-3-2-4-7-17;1-29(2)34(32,33)20-11-9-19(10-12-20)27-23-24-25-14-22(18-13-26-30(3)15-18)31(24)16-21(28-23)17-7-5-4-6-8-17;1-29-14-18(12-26-29)20-13-25-24-23(28-22-11-17-9-5-6-10-21(17)31-22)27-19(15-30(20)24)16-7-3-2-4-8-16;1-29-13-17(11-26-29)19-12-25-22-21(28-20-10-16-8-5-9-24-23(16)31-20)27-18(14-30(19)22)15-6-3-2-4-7-15/h5-6,8-16H,2-4,7H2,1H3,(H,29,30);7,9-16H,4-6,8H2,1-3H3,(H,27,28);5-7,9-15H,2-4,8H2,1H3,(H,27,28);5-6,8-14H,2-4,7H2,1H3,(H,27,28)
InChIKeyVUDPHECZBACZJB-UHFFFAOYSA-N
MW1753.19 g/mol
LogP20.95
Rot. Bonds18
About N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (PubChem CID 123691717) has the molecular formula C96H93N27O2S3 and a molecular weight of 1753.19 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.
Molecular Properties
| Compound Name | N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine |
|---|---|
| PubChem CID | 123691717 |
| Molecular Formula | C96H93N27O2S3 |
| Molecular Weight | 1753.19 g/mol |
| Exact Mass | 1751.72 |
| IUPAC Name | N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine |
| SMILES | CN(C)S(=O)(=O)c1ccc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1.Cn1cc(-c2cnc3c(Nc4cc5ccccc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5ncccc5c4)nc(C4=CCCCC4)cn23)cn1 |
| InChI | InChI=1S/C25H23N7.C24H27N7O2S.C24H22N6S.C23H21N7S/c1-31-15-19(13-28-31)23-14-27-25-24(29-20-9-10-21-18(12-20)8-5-11-26-21)30-22(16-32(23)25)17-6-3-2-4-7-17;1-29(2)34(32,33)20-11-9-19(10-12-20)27-23-24-25-14-22(18-13-26-30(3)15-18)31(24)16-21(28-23)17-7-5-4-6-8-17;1-29-14-18(12-26-29)20-13-25-24-23(28-22-11-17-9-5-6-10-21(17)31-22)27-19(15-30(20)24)16-7-3-2-4-8-16;1-29-13-17(11-26-29)19-12-25-22-21(28-20-10-16-8-5-9-24-23(16)31-20)27-18(14-30(19)22)15-6-3-2-4-7-15/h5-6,8-16H,2-4,7H2,1H3,(H,29,30);7,9-16H,4-6,8H2,1-3H3,(H,27,28);5-7,9-15H,2-4,8H2,1H3,(H,27,28);5-6,8-14H,2-4,7H2,1H3,(H,27,28) |
| InChIKey | VUDPHECZBACZJB-UHFFFAOYSA-N |
| XLogP | 20.95 |
| TPSA | 303.32 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 128 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1753.19 |
| LogP ≤ 5 | 20.95 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The IUPAC name of N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (CID 123691717) is N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The canonical SMILES for N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is CN(C)S(=O)(=O)c1ccc(Nc2nc(C3=CCCCC3)cn3c(-c4cnn(C)c4)cnc23)cc1.Cn1cc(-c2cnc3c(Nc4cc5ccccc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4cc5cccnc5s4)nc(C4=CCCCC4)cn23)cn1.Cn1cc(-c2cnc3c(Nc4ccc5ncccc5c4)nc(C4=CCCCC4)cn23)cn1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The InChIKey is VUDPHECZBACZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7.C24H27N7O2S.C24H22N6S.C23H21N7S/c1-31-15-19(13-28-31)23-14-27-25-24(29-20-9-10-21-18(12-20)8-5-11-26-21)30-22(16-32(23)25)17-6-3-2-4-7-17;1-29(2)34(32,33)20-11-9-19(10-12-20)27-23-24-25-14-22(18-13-26-30(3)15-18)31(24)16-21(28-23)17-7-5-4-6-8-17;1-29-14-18(12-26-29)20-13-25-24-23(28-22-11-17-9-5-6-10-21(17)31-22)27-19(15-30(20)24)16-7-3-2-4-8-16;1-29-13-17(11-26-29)19-12-25-22-21(28-20-10-16-8-5-9-24-23(16)31-20)27-18(14-30(19)22)15-6-3-2-4-7-15/h5-6,8-16H,2-4,7H2,1H3,(H,29,30);7,9-16H,4-6,8H2,1-3H3,(H,27,28);5-7,9-15H,2-4,8H2,1H3,(H,27,28);5-6,8-14H,2-4,7H2,1H3,(H,27,28).
What are the key properties of N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine has a molecular weight of 1753.19 g/mol, XLogP of 20.95, 18 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;4-[[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-dimethylbenzenesulfonamide;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[6-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is sourced from PubChem (CID 123691717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 123691717 — identifiers, structure, computed properties (public domain)
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