2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine

C98H63Cl2F4N17O4 — CID 158627928

About 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine (PubChem CID 158627928) has the molecular formula C98H63Cl2F4N17O4 and a molecular weight of 1689.59 g/mol. Its IUPAC name is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine.

Molecular Properties

• Compound Name: 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine
• PubChem CID: 158627928
• Molecular Formula: C98H63Cl2F4N17O4
• Molecular Weight: 1689.59 g/mol
• Exact Mass: 1687.46
• IUPAC Name: 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine
• SMILES: Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Nc1cc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cccc2cn1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12.O=[N+]([O-])c1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
• InChI: InChI=1S/C27H18FN5.C25H19FN4O2.C23H12ClFN4O2.C23H14ClFN4/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27;24-13-3-5-20(25)18(10-13)21-11-17(16-2-1-8-27-23(16)28-21)14-4-6-22(29(30)31)19-12-26-9-7-15(14)19;24-14-6-7-20(25)19(9-14)21-10-18(16-5-2-8-27-23(16)29-21)15-4-1-3-13-12-28-22(26)11-17(13)15/h2-16H,1H3;1-11,14,31H,12-13H2,(H2,27,28);1-12H;1-12H,(H2,26,28)
• InChIKey: HYVBZPHBBKDEJE-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 297.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.59
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine?

The IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine (CID 158627928) is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine.

What is the SMILES notation for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine?

The canonical SMILES for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine is Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Nc1cc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cccc2cn1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12.O=[N+]([O-])c1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.

What is the InChIKey of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine?

The InChIKey is HYVBZPHBBKDEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FN5.C25H19FN4O2.C23H12ClFN4O2.C23H14ClFN4/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27;24-13-3-5-20(25)18(10-13)21-11-17(16-2-1-8-27-23(16)28-21)14-4-6-22(29(30)31)19-12-26-9-7-15(14)19;24-14-6-7-20(25)19(9-14)21-10-18(16-5-2-8-27-23(16)29-21)15-4-1-3-13-12-28-22(26)11-17(13)15/h2-16H,1H3;1-11,14,31H,12-13H2,(H2,27,28);1-12H;1-12H,(H2,26,28).

What are the key properties of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine?

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine has a molecular weight of 1689.59 g/mol, XLogP of 22.76, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-3-amine;2-(5-chloro-2-fluorophenyl)-4-(8-nitroisoquinolin-5-yl)-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine is sourced from PubChem (CID 158627928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).