2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine

C77H58Cl2F3N13O2 — CID 157463180

About 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine

2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine (PubChem CID 157463180) has the molecular formula C77H58Cl2F3N13O2 and a molecular weight of 1325.30 g/mol. Its IUPAC name is 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine.

Molecular Properties

• Compound Name: 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
• PubChem CID: 157463180
• Molecular Formula: C77H58Cl2F3N13O2
• Molecular Weight: 1325.30 g/mol
• Exact Mass: 1323.42
• IUPAC Name: 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine
• SMILES: CN(C)c1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Fc1ccc(Cl)cc1-c1cc(-c2ccc(N3CCCCC3)c3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ncc(OCCO)c12
• InChI: InChI=1S/C28H22ClFN4.C25H18ClFN4.C24H18FN5O2/c29-18-6-8-25(30)23(15-18)26-16-22(21-5-4-11-32-28(21)33-26)19-7-9-27(34-13-2-1-3-14-34)24-17-31-12-10-20(19)24;1-31(2)24-8-6-16(17-9-11-28-14-21(17)24)19-13-23(20-12-15(26)5-7-22(20)27)30-25-18(19)4-3-10-29-25;25-18-6-2-1-4-15(18)19-12-17(14-5-3-8-28-24(14)30-19)22-16-7-9-27-23(26)21(16)20(13-29-22)32-11-10-31/h4-12,15-17H,1-3,13-14H2;3-14H,1-2H3;1-9,12-13,31H,10-11H2,(H2,26,27)
• InChIKey: BUDYRDAMDXPSLW-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 190.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.30
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?

The IUPAC name of 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine (CID 157463180) is 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine.

What is the SMILES notation for 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?

The canonical SMILES for 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine is CN(C)c1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Fc1ccc(Cl)cc1-c1cc(-c2ccc(N3CCCCC3)c3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ncc(OCCO)c12.

What is the InChIKey of 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?

The InChIKey is BUDYRDAMDXPSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4.C25H18ClFN4.C24H18FN5O2/c29-18-6-8-25(30)23(15-18)26-16-22(21-5-4-11-32-28(21)33-26)19-7-9-27(34-13-2-1-3-14-34)24-17-31-12-10-20(19)24;1-31(2)24-8-6-16(17-9-11-28-14-21(17)24)19-13-23(20-12-15(26)5-7-22(20)27)30-25-18(19)4-3-10-29-25;25-18-6-2-1-4-15(18)19-12-17(14-5-3-8-28-24(14)30-19)22-16-7-9-27-23(26)21(16)20(13-29-22)32-11-10-31/h4-12,15-17H,1-3,13-14H2;3-14H,1-2H3;1-9,12-13,31H,10-11H2,(H2,26,27).

What are the key properties of 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine?

2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine has a molecular weight of 1325.30 g/mol, XLogP of 17.66, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-amino-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-4-yl]oxy]ethanol;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethylisoquinolin-8-amine;2-(5-chloro-2-fluorophenyl)-4-(8-piperidin-1-ylisoquinolin-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 157463180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).