tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate

C30H28F4N4O2 — CID 67270408

About tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 67270408) has the molecular formula C30H28F4N4O2 and a molecular weight of 552.57 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate
• PubChem CID: 67270408
• Molecular Formula: C30H28F4N4O2
• Molecular Weight: 552.57 g/mol
• Exact Mass: 552.21
• IUPAC Name: tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3ccc(F)cc3F)c3ccnc(-c4c(F)cccc4F)c3n2)CC1
• InChI: InChI=1S/C30H28F4N4O2/c1-30(2,3)40-29(39)38-13-10-18(11-14-38)36-25-16-21(19-8-7-17(31)15-24(19)34)20-9-12-35-28(27(20)37-25)26-22(32)5-4-6-23(26)33/h4-9,12,15-16,18H,10-11,13-14H2,1-3H3,(H,36,37)
• InChIKey: RYMCENHCCUOAAO-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.57
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate (CID 67270408) is tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cc(-c3ccc(F)cc3F)c3ccnc(-c4c(F)cccc4F)c3n2)CC1.

What is the InChIKey of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?

The InChIKey is RYMCENHCCUOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4N4O2/c1-30(2,3)40-29(39)38-13-10-18(11-14-38)36-25-16-21(19-8-7-17(31)15-24(19)34)20-9-12-35-28(27(20)37-25)26-22(32)5-4-6-23(26)33/h4-9,12,15-16,18H,10-11,13-14H2,1-3H3,(H,36,37).

What are the key properties of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?

tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 552.57 g/mol, XLogP of 7.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).