1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
C110H85Cl6N33O5S4 — CID 157049985
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
SMILESCCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(NC(=O)c3ccccc3)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncoc3c2)s1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1.Nc1cnc(-c2cc(Cl)c3ncoc3c2)c(-n2ccccc2=O)n1.Nc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1
InChIInChI=1S/C24H28ClN7.C24H17ClN6O.C16H10ClN5O2.C16H10ClN5OS.C15H10ClN5OS.C15H10ClN5S2/c1-4-32(5-2)12-7-9-20-24(26)29-23(19-10-13-31(3)30-19)22(28-20)17-14-16-8-6-11-27-21(16)18(25)15-17;1-15-9-11-31(30-15)23-22(18-12-17-8-5-10-26-21(17)19(25)13-18)27-14-20(28-23)29-24(32)16-6-3-2-4-7-16;2*17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23;2*1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-14H,1H3,(H,28,29,32);2*1-8H,(H2,18,21);2*2-6H,1H3,(H2,17,21)
InChIKeyAABUENFMTDDFBG-UHFFFAOYSA-N
MW2290.10 g/mol
LogP23.88
Rot. Bonds20
About 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide (PubChem CID 157049985) has the molecular formula C110H85Cl6N33O5S4 and a molecular weight of 2290.10 g/mol. Its IUPAC name is 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide.
Molecular Properties
| Compound Name | 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide |
|---|---|
| PubChem CID | 157049985 |
| Molecular Formula | C110H85Cl6N33O5S4 |
| Molecular Weight | 2290.10 g/mol |
| Exact Mass | 2285.44 |
| IUPAC Name | 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide |
| SMILES | CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(NC(=O)c3ccccc3)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncoc3c2)s1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1.Nc1cnc(-c2cc(Cl)c3ncoc3c2)c(-n2ccccc2=O)n1.Nc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1 |
| InChI | InChI=1S/C24H28ClN7.C24H17ClN6O.C16H10ClN5O2.C16H10ClN5OS.C15H10ClN5OS.C15H10ClN5S2/c1-4-32(5-2)12-7-9-20-24(26)29-23(19-10-13-31(3)30-19)22(28-20)17-14-16-8-6-11-27-21(16)18(25)15-17;1-15-9-11-31(30-15)23-22(18-12-17-8-5-10-26-21(17)19(25)13-18)27-14-20(28-23)29-24(32)16-6-3-2-4-7-16;2*17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23;2*1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-14H,1H3,(H,28,29,32);2*1-8H,(H2,18,21);2*2-6H,1H3,(H2,17,21) |
| InChIKey | AABUENFMTDDFBG-UHFFFAOYSA-N |
| XLogP | 23.88 |
| TPSA | 526.16 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 158 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.10 |
| LogP ≤ 5 | 23.88 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide (CID 157049985) is 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide is CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(NC(=O)c3ccccc3)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncoc3c2)s1.Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1.Nc1cnc(-c2cc(Cl)c3ncoc3c2)c(-n2ccccc2=O)n1.Nc1cnc(-c2cc(Cl)c3ncsc3c2)c(-n2ccccc2=O)n1.
What is the InChIKey of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide?
The InChIKey is AABUENFMTDDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7.C24H17ClN6O.C16H10ClN5O2.C16H10ClN5OS.C15H10ClN5OS.C15H10ClN5S2/c1-4-32(5-2)12-7-9-20-24(26)29-23(19-10-13-31(3)30-19)22(28-20)17-14-16-8-6-11-27-21(16)18(25)15-17;1-15-9-11-31(30-15)23-22(18-12-17-8-5-10-26-21(17)19(25)13-18)27-14-20(28-23)29-24(32)16-6-3-2-4-7-16;2*17-10-5-9(6-11-15(10)20-8-24-11)14-16(21-12(18)7-19-14)22-4-2-1-3-13(22)23;2*1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-14H,1H3,(H,28,29,32);2*1-8H,(H2,18,21);2*2-6H,1H3,(H2,17,21).
What are the key properties of 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide?
1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide has a molecular weight of 2290.10 g/mol, XLogP of 23.88, 20 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 157049985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157049985 — identifiers, structure, computed properties (public domain)
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