7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine

C101H76Cl3F3N16OS — CID 158595779

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine (PubChem CID 158595779) has the molecular formula C101H76Cl3F3N16OS and a molecular weight of 1725.25 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine.

Molecular Properties

• Compound Name: 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine
• PubChem CID: 158595779
• Molecular Formula: C101H76Cl3F3N16OS
• Molecular Weight: 1725.25 g/mol
• Exact Mass: 1722.51
• IUPAC Name: 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ccnc(N)c3c2)ccc1F.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1.Nc1nccc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.[H]/N=C/c1cc(-c2cc3c(nc2-c2ccc(F)c(C)c2)OCCN3C)ccc1C
• InChI: InChI=1S/C23H22FN3O.C21H16FN3.C20H13ClFN3.C20H14ClN3.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;1-13-11-16(6-7-19(13)22)20-17(3-2-9-24-20)15-5-4-14-8-10-25-21(23)18(14)12-15;21-17-11-14(5-6-18(17)22)19-15(2-1-8-24-19)13-4-3-12-7-9-25-20(23)16(12)10-13;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;18-11-4-1-3-10(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;2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24);1-9H,(H2,19,22)/b25-13+
• InChIKey: HUZWUJWNAQBNJM-XZXQDDMRSA-N
• XLogP: 25.19
• TPSA: 269.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1725.25
LogP ≤ 5	25.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine (CID 158595779) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine.

What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine is Cc1cc(-c2ncccc2-c2ccc3ccnc(N)c3c2)ccc1F.Nc1nc2ccc(-c3cccnc3-c3cccc(Cl)c3)nc2s1.Nc1nccc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1nccc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.[H]/N=C/c1cc(-c2cc3c(nc2-c2ccc(F)c(C)c2)OCCN3C)ccc1C.

What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

The InChIKey is HUZWUJWNAQBNJM-XZXQDDMRSA-N. The full InChI is InChI=1S/C23H22FN3O.C21H16FN3.C20H13ClFN3.C20H14ClN3.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;1-13-11-16(6-7-19(13)22)20-17(3-2-9-24-20)15-5-4-14-8-10-25-21(23)18(14)12-15;21-17-11-14(5-6-18(17)22)19-15(2-1-8-24-19)13-4-3-12-7-9-25-20(23)16(12)10-13;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;18-11-4-1-3-10(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;2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24);1-9H,(H2,19,22)/b25-13+;;;;.

What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine?

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine has a molecular weight of 1725.25 g/mol, XLogP of 25.19, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]isoquinolin-1-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;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinolin-1-amine is sourced from PubChem (CID 158595779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).