5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine

C77H57Cl3F2N14OS2 — CID 161298210

About 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine

5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine (PubChem CID 161298210) has the molecular formula C77H57Cl3F2N14OS2 and a molecular weight of 1402.89 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine.

Molecular Properties

• Compound Name: 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine
• PubChem CID: 161298210
• Molecular Formula: C77H57Cl3F2N14OS2
• Molecular Weight: 1402.89 g/mol
• Exact Mass: 1400.33
• IUPAC Name: 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine
• SMILES: Nc1nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc2s1.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.[H]/N=C/c1cc(-c2cc3c(nc2-c2ccc(F)c(C)c2)OCCN3C)ccc1C
• InChI: InChI=1S/C23H22FN3O.C20H14ClN3.C17H10ClFN4S.C17H11ClN4S/c1-14-4-5-16(11-18(14)13-25)19-12-21-23(28-9-8-27(21)3)26-22(19)17-6-7-20(24)15(2)10-17;21-16-4-1-3-15(11-16)19-17(5-2-9-23-19)14-7-6-13-8-10-24-20(22)18(13)12-14;18-11-8-9(3-4-12(11)19)15-10(2-1-7-21-15)13-5-6-14-16(22-13)24-17(20)23-14;18-11-4-1-3-10(9-11)15-12(5-2-8-20-15)13-6-7-14-16(21-13)23-17(19)22-14/h4-7,10-13,25H,8-9H2,1-3H3;1-12H,(H2,22,24);1-8H,(H2,20,23);1-9H,(H2,19,22)/b25-13+
• InChIKey: VHGIABJVPIBJQA-STJNQAMVSA-N
• XLogP: 19.65
• TPSA: 230.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.89
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine?

The IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine (CID 161298210) is 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine.

What is the SMILES notation for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine?

The canonical SMILES for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine is Nc1nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc2s1.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.[H]/N=C/c1cc(-c2cc3c(nc2-c2ccc(F)c(C)c2)OCCN3C)ccc1C.

What is the InChIKey of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine?

The InChIKey is VHGIABJVPIBJQA-STJNQAMVSA-N. The full InChI is InChI=1S/C23H22FN3O.C20H14ClN3.C17H10ClFN4S.C17H11ClN4S/c1-14-4-5-16(11-18(14)13-25)19-12-21-23(28-9-8-27(21)3)26-22(19)17-6-7-20(24)15(2)10-17;21-16-4-1-3-15(11-16)19-17(5-2-9-23-19)14-7-6-13-8-10-24-20(22)18(13)12-14;18-11-8-9(3-4-12(11)19)15-10(2-1-7-21-15)13-5-6-14-16(22-13)24-17(20)23-14;18-11-4-1-3-10(9-11)15-12(5-2-8-20-15)13-6-7-14-16(21-13)23-17(19)22-14/h4-7,10-13,25H,8-9H2,1-3H3;1-12H,(H2,22,24);1-8H,(H2,20,23);1-9H,(H2,19,22)/b25-13+;;;.

What are the key properties of 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine?

5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine has a molecular weight of 1402.89 g/mol, XLogP of 19.65, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;7-[2-(3-chlorophenyl)-3-pyridinyl]isoquinolin-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;[5-[6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-2-methylphenyl]methanimine is sourced from PubChem (CID 161298210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).