6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine
C87H67Cl3F3N27S2 — CID 161232975
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1nc(-c2cc(C)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc(N)sc3c2)n1.Nc1cnc(-c2cc(Cl)c3nc(N)sc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H16FN5.C18H13ClFN5.C18H14FN5.C17H12ClN5S.C15H12ClN7S/c1-10-7-13(8-14-9-22-25-16(10)14)18-17(24-19(21)11(2)23-18)12-3-5-15(20)6-4-12;1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10;1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11;18-11-6-10(7-12-16(11)23-17(20)24-12)14-15(22-13(19)8-21-14)9-4-2-1-3-5-9;1-23-3-2-9(22-23)14-12(19-6-11(17)20-14)7-4-8(16)13-10(5-7)24-15(18)21-13/h3-9H,1-2H3,(H2,21,24)(H,22,25);2-8H,1H3,(H2,21,23)(H,24,25);2-9H,1H3,(H2,20,22)(H,23,24);1-8H,(H2,19,22)(H2,20,23);2-6H,1H3,(H2,17,20)(H2,18,21)
InChIKeyUYZPFCXTTQYJJN-UHFFFAOYSA-N
MW1718.17 g/mol
LogP19.32
Rot. Bonds10
About 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine
6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine (PubChem CID 161232975) has the molecular formula C87H67Cl3F3N27S2 and a molecular weight of 1718.17 g/mol. Its IUPAC name is 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine.
Molecular Properties
| Compound Name | 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine |
|---|---|
| PubChem CID | 161232975 |
| Molecular Formula | C87H67Cl3F3N27S2 |
| Molecular Weight | 1718.17 g/mol |
| Exact Mass | 1715.45 |
| IUPAC Name | 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine |
| SMILES | Cc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1nc(-c2cc(C)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc(N)sc3c2)n1.Nc1cnc(-c2cc(Cl)c3nc(N)sc3c2)c(-c2ccccc2)n1 |
| InChI | InChI=1S/C19H16FN5.C18H13ClFN5.C18H14FN5.C17H12ClN5S.C15H12ClN7S/c1-10-7-13(8-14-9-22-25-16(10)14)18-17(24-19(21)11(2)23-18)12-3-5-15(20)6-4-12;1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10;1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11;18-11-6-10(7-12-16(11)23-17(20)24-12)14-15(22-13(19)8-21-14)9-4-2-1-3-5-9;1-23-3-2-9(22-23)14-12(19-6-11(17)20-14)7-4-8(16)13-10(5-7)24-15(18)21-13/h3-9H,1-2H3,(H2,21,24)(H,22,25);2-8H,1H3,(H2,21,23)(H,24,25);2-9H,1H3,(H2,20,22)(H,23,24);1-8H,(H2,19,22)(H2,20,23);2-6H,1H3,(H2,17,20)(H2,18,21) |
| InChIKey | UYZPFCXTTQYJJN-UHFFFAOYSA-N |
| XLogP | 19.32 |
| TPSA | 440.68 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 122 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1718.17 |
| LogP ≤ 5 | 19.32 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine?
The IUPAC name of 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine (CID 161232975) is 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine is Cc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccc(F)cc3)cc12.Cc1nc(-c2cc(C)c3[nH]ncc3c2)c(-c2ccc(F)cc2)nc1N.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc(N)sc3c2)n1.Nc1cnc(-c2cc(Cl)c3nc(N)sc3c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine?
The InChIKey is UYZPFCXTTQYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5.C18H13ClFN5.C18H14FN5.C17H12ClN5S.C15H12ClN7S/c1-10-7-13(8-14-9-22-25-16(10)14)18-17(24-19(21)11(2)23-18)12-3-5-15(20)6-4-12;1-9-13-6-11(7-14(19)18(13)25-24-9)16-17(23-15(21)8-22-16)10-2-4-12(20)5-3-10;1-10-14-8-12(4-7-15(14)24-23-10)17-18(22-16(20)9-21-17)11-2-5-13(19)6-3-11;18-11-6-10(7-12-16(11)23-17(20)24-12)14-15(22-13(19)8-21-14)9-4-2-1-3-5-9;1-23-3-2-9(22-23)14-12(19-6-11(17)20-14)7-4-8(16)13-10(5-7)24-15(18)21-13/h3-9H,1-2H3,(H2,21,24)(H,22,25);2-8H,1H3,(H2,21,23)(H,24,25);2-9H,1H3,(H2,20,22)(H,23,24);1-8H,(H2,19,22)(H2,20,23);2-6H,1H3,(H2,17,20)(H2,18,21).
What are the key properties of 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine?
6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine has a molecular weight of 1718.17 g/mol, XLogP of 19.32, 10 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;6-(5-amino-3-phenylpyrazin-2-yl)-4-chloro-1,3-benzothiazol-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine;6-(4-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine;6-(4-fluorophenyl)-3-methyl-5-(7-methyl-1H-indazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 161232975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161232975 — identifiers, structure, computed properties (public domain)
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