N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine

C98H75ClF4N14O2 — CID 162129946

About N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine

N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine (PubChem CID 162129946) has the molecular formula C98H75ClF4N14O2 and a molecular weight of 1592.22 g/mol. Its IUPAC name is N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine.

Molecular Properties

• Compound Name: N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
• PubChem CID: 162129946
• Molecular Formula: C98H75ClF4N14O2
• Molecular Weight: 1592.22 g/mol
• Exact Mass: 1590.58
• IUPAC Name: N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
• SMILES: C1=C(c2cc(-c3ccccc3)nc3ncccc23)c2cccnc2C1.CCN(CC)CCNc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.COc1cccc(OC)c1-c1cc(C2=CCc3ncccc32)c2cccnc2n1.FC(F)(F)c1cccc(-c2cc(C3=CCc4ncccc43)c3cccnc3n2)c1
• InChI: InChI=1S/C29H27ClFN5.C24H19N3O2.C23H14F3N3.C22H15N3/c1-3-36(4-2)15-14-33-27-10-8-20(21-11-13-32-18-25(21)27)23-17-28(24-16-19(30)7-9-26(24)31)35-29-22(23)6-5-12-34-29;1-28-21-8-3-9-22(29-2)23(21)20-14-18(17-7-5-13-26-24(17)27-20)15-10-11-19-16(15)6-4-12-25-19;24-23(25,26)15-5-1-4-14(12-15)21-13-19(18-7-3-11-28-22(18)29-21)16-8-9-20-17(16)6-2-10-27-20;1-2-6-15(7-3-1)21-14-19(18-9-5-13-24-22(18)25-21)16-10-11-20-17(16)8-4-12-23-20/h5-13,16-18,33H,3-4,14-15H2,1-2H3;3-10,12-14H,11H2,1-2H3;1-8,10-13H,9H2;1-10,12-14H,11H2
• InChIKey: ZINLMUAYLLPZRP-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 188.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.22
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?

The IUPAC name of N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine (CID 162129946) is N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine.

What is the SMILES notation for N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?

The canonical SMILES for N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine is C1=C(c2cc(-c3ccccc3)nc3ncccc23)c2cccnc2C1.CCN(CC)CCNc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.COc1cccc(OC)c1-c1cc(C2=CCc3ncccc32)c2cccnc2n1.FC(F)(F)c1cccc(-c2cc(C3=CCc4ncccc43)c3cccnc3n2)c1.

What is the InChIKey of N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?

The InChIKey is ZINLMUAYLLPZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClFN5.C24H19N3O2.C23H14F3N3.C22H15N3/c1-3-36(4-2)15-14-33-27-10-8-20(21-11-13-32-18-25(21)27)23-17-28(24-16-19(30)7-9-26(24)31)35-29-22(23)6-5-12-34-29;1-28-21-8-3-9-22(29-2)23(21)20-14-18(17-7-5-13-26-24(17)27-20)15-10-11-19-16(15)6-4-12-25-19;24-23(25,26)15-5-1-4-14(12-15)21-13-19(18-7-3-11-28-22(18)29-21)16-8-9-20-17(16)6-2-10-27-20;1-2-6-15(7-3-1)21-14-19(18-9-5-13-24-22(18)25-21)16-10-11-20-17(16)8-4-12-23-20/h5-13,16-18,33H,3-4,14-15H2,1-2H3;3-10,12-14H,11H2,1-2H3;1-8,10-13H,9H2;1-10,12-14H,11H2.

What are the key properties of N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine?

N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine has a molecular weight of 1592.22 g/mol, XLogP of 22.13, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-(2,6-dimethoxyphenyl)-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-phenyl-1,8-naphthyridine;4-(7H-cyclopenta[b]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine is sourced from PubChem (CID 162129946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).