1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea

C35H34Cl2F4N8O2 — CID 90985135

About 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea

1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea (PubChem CID 90985135) has the molecular formula C35H34Cl2F4N8O2 and a molecular weight of 745.61 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea
• PubChem CID: 90985135
• Molecular Formula: C35H34Cl2F4N8O2
• Molecular Weight: 745.61 g/mol
• Exact Mass: 744.21
• IUPAC Name: 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea
• SMILES: O=C(NCCc1ccc2c(n1)NCC(c1ccc(F)c(NC(=O)NCCc3ccc4c(n3)NCCC4)c1C(F)(F)F)C2)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C35H34Cl2F4N8O2/c36-22-5-9-26(37)28(17-22)48-33(50)43-14-11-24-7-4-20-16-21(18-45-32(20)47-24)25-8-10-27(38)30(29(25)35(39,40)41)49-34(51)44-15-12-23-6-3-19-2-1-13-42-31(19)46-23/h3-10,17,21H,1-2,11-16,18H2,(H,42,46)(H,45,47)(H2,43,48,50)(H2,44,49,51)
• InChIKey: IGRXSLBNSQKQGC-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 132.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	745.61
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea?

The IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea (CID 90985135) is 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea.

What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea?

The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea is O=C(NCCc1ccc2c(n1)NCC(c1ccc(F)c(NC(=O)NCCc3ccc4c(n3)NCCC4)c1C(F)(F)F)C2)Nc1cc(Cl)ccc1Cl.

What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea?

The InChIKey is IGRXSLBNSQKQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34Cl2F4N8O2/c36-22-5-9-26(37)28(17-22)48-33(50)43-14-11-24-7-4-20-16-21(18-45-32(20)47-24)25-8-10-27(38)30(29(25)35(39,40)41)49-34(51)44-15-12-23-6-3-19-2-1-13-42-31(19)46-23/h3-10,17,21H,1-2,11-16,18H2,(H,42,46)(H,45,47)(H2,43,48,50)(H2,44,49,51).

What are the key properties of 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea?

1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea has a molecular weight of 745.61 g/mol, XLogP of 7.78, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dichlorophenyl)-3-[2-[6-[4-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]-2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]ethyl]urea is sourced from PubChem (CID 90985135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).