8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine

C99H63Cl4F5N26S — CID 159407872

About 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine

8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 159407872) has the molecular formula C99H63Cl4F5N26S and a molecular weight of 1885.64 g/mol. Its IUPAC name is 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
• PubChem CID: 159407872
• Molecular Formula: C99H63Cl4F5N26S
• Molecular Weight: 1885.64 g/mol
• Exact Mass: 1882.41
• IUPAC Name: 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
• SMILES: Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3cncnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3ncccc23)cc(Cl)n1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nccnc12.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3n[nH]c(Cl)c3c2)c2nccnc12.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nccnc12
• InChI: InChI=1S/2C20H12ClFN6.C20H14ClFN4.C20H12FN5S.C19H13ClFN5/c21-19-13-9-11(3-6-14(13)27-28-19)15-16(10-1-4-12(22)5-2-10)26-20(23)18-17(15)24-7-8-25-18;21-14-8-11(7-12-9-26-28-16(12)14)15-17(10-1-3-13(22)4-2-10)27-20(23)19-18(15)24-5-6-25-19;1-11-9-13(10-16(21)25-11)17-15-3-2-8-24-19(15)20(23)26-18(17)12-4-6-14(22)7-5-12;21-13-4-1-11(2-5-13)17-16(12-3-6-14-15(9-12)27-10-25-14)18-19(20(22)26-17)24-8-7-23-18;1-10-6-12(7-15(20)25-10)16-17(11-2-4-13(21)5-3-11)26-19(22)14-8-23-9-24-18(14)16/h1-9H,(H2,23,26)(H,27,28);1-9H,(H2,23,27)(H,26,28);2-10H,1H3,(H2,23,26);1-10H,(H2,22,26);2-9H,1H3,(H2,22,26)
• InChIKey: LOEQOZPJSOCPNB-UHFFFAOYSA-N
• XLogP: 23.39
• TPSA: 406.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.64
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?

The IUPAC name of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine (CID 159407872) is 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine.

What is the SMILES notation for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?

The canonical SMILES for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3cncnc23)cc(Cl)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)c3ncccc23)cc(Cl)n1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nccnc12.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3n[nH]c(Cl)c3c2)c2nccnc12.Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nccnc12.

What is the InChIKey of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?

The InChIKey is LOEQOZPJSOCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12ClFN6.C20H14ClFN4.C20H12FN5S.C19H13ClFN5/c21-19-13-9-11(3-6-14(13)27-28-19)15-16(10-1-4-12(22)5-2-10)26-20(23)18-17(15)24-7-8-25-18;21-14-8-11(7-12-9-26-28-16(12)14)15-17(10-1-3-13(22)4-2-10)27-20(23)19-18(15)24-5-6-25-19;1-11-9-13(10-16(21)25-11)17-15-3-2-8-24-19(15)20(23)26-18(17)12-4-6-14(22)7-5-12;21-13-4-1-11(2-5-13)17-16(12-3-6-14-15(9-12)27-10-25-14)18-19(20(22)26-17)24-8-7-23-18;1-10-6-12(7-15(20)25-10)16-17(11-2-4-13(21)5-3-11)26-19(22)14-8-23-9-24-18(14)16/h1-9H,(H2,23,26)(H,27,28);1-9H,(H2,23,27)(H,26,28);2-10H,1H3,(H2,23,26);1-10H,(H2,22,26);2-9H,1H3,(H2,22,26).

What are the key properties of 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine?

8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 1885.64 g/mol, XLogP of 23.39, 10 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 159407872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).