5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine
C81H64ClN29S2 — CID 159218172
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2ccc3ncccc3c2)s1.Cn1ccc(-c2nc(N)cnc2-c2ccc3ncccc3c2)n1.Nc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C17H12ClN5.C17H14N6.C17H13N5S.C15H13N7.C15H12N6S/c18-13-7-11(6-12-8-21-23-15(12)13)16-17(22-14(19)9-20-16)10-4-2-1-3-5-10;1-23-8-6-14(22-23)17-16(20-10-15(18)21-17)12-4-5-13-11(9-12)3-2-7-19-13;1-10-20-8-14(23-10)17-16(21-9-15(18)22-17)12-4-5-13-11(7-12)3-2-6-19-13;1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h1-9H,(H2,19,22)(H,21,23);2-10H,1H3,(H2,18,21);2-9H,1H3,(H2,18,22);2-8H,1H3,(H2,16,19)(H,18,20);2-8H,1H3,(H2,16,19)
InChIKeyKRIONTFWCDFTCO-UHFFFAOYSA-N
MW1543.19 g/mol
LogP15.23
Rot. Bonds10
About 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 159218172) has the molecular formula C81H64ClN29S2 and a molecular weight of 1543.19 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine.
Molecular Properties
| Compound Name | 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine |
|---|---|
| PubChem CID | 159218172 |
| Molecular Formula | C81H64ClN29S2 |
| Molecular Weight | 1543.19 g/mol |
| Exact Mass | 1541.50 |
| IUPAC Name | 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine |
| SMILES | Cc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2ccc3ncccc3c2)s1.Cn1ccc(-c2nc(N)cnc2-c2ccc3ncccc3c2)n1.Nc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)n1 |
| InChI | InChI=1S/C17H12ClN5.C17H14N6.C17H13N5S.C15H13N7.C15H12N6S/c18-13-7-11(6-12-8-21-23-15(12)13)16-17(22-14(19)9-20-16)10-4-2-1-3-5-10;1-23-8-6-14(22-23)17-16(20-10-15(18)21-17)12-4-5-13-11(9-12)3-2-7-19-13;1-10-20-8-14(23-10)17-16(21-9-15(18)22-17)12-4-5-13-11(7-12)3-2-6-19-13;1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h1-9H,(H2,19,22)(H,21,23);2-10H,1H3,(H2,18,21);2-9H,1H3,(H2,18,22);2-8H,1H3,(H2,16,19)(H,18,20);2-8H,1H3,(H2,16,19) |
| InChIKey | KRIONTFWCDFTCO-UHFFFAOYSA-N |
| XLogP | 15.23 |
| TPSA | 421.38 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 113 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1543.19 |
| LogP ≤ 5 | 15.23 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |
Frequently Asked Questions
What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 159218172) is 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccn(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1.Cc1ncc(-c2nc(N)cnc2-c2ccc3ncccc3c2)s1.Cn1ccc(-c2nc(N)cnc2-c2ccc3ncccc3c2)n1.Nc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is KRIONTFWCDFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5.C17H14N6.C17H13N5S.C15H13N7.C15H12N6S/c18-13-7-11(6-12-8-21-23-15(12)13)16-17(22-14(19)9-20-16)10-4-2-1-3-5-10;1-23-8-6-14(22-23)17-16(20-10-15(18)21-17)12-4-5-13-11(9-12)3-2-7-19-13;1-10-20-8-14(23-10)17-16(21-9-15(18)22-17)12-4-5-13-11(7-12)3-2-6-19-13;1-9-4-5-22(21-9)15-14(17-8-13(16)19-15)10-2-3-12-11(6-10)7-18-20-12;1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h1-9H,(H2,19,22)(H,21,23);2-10H,1H3,(H2,18,21);2-9H,1H3,(H2,18,22);2-8H,1H3,(H2,16,19)(H,18,20);2-8H,1H3,(H2,16,19).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine?
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 1543.19 g/mol, XLogP of 15.23, 10 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 159218172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159218172 — identifiers, structure, computed properties (public domain)
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