4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

C28H27F2N5O — CID 67284965

About 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine

4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (PubChem CID 67284965) has the molecular formula C28H27F2N5O and a molecular weight of 487.55 g/mol. Its IUPAC name is 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
• PubChem CID: 67284965
• Molecular Formula: C28H27F2N5O
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.22
• IUPAC Name: 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
• SMILES: Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21
• InChI: InChI=1S/C28H27F2N5O/c1-17-24(18-11-19(29)13-20(30)12-18)33-27-22(5-4-6-31-27)25(17)35-16-28(2,3)26-23(35)14-21(15-32-26)34-7-9-36-10-8-34/h4-6,11-15H,7-10,16H2,1-3H3
• InChIKey: YDEOWXXFTIWISE-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The IUPAC name of 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine (CID 67284965) is 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine.

What is the SMILES notation for 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The canonical SMILES for 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21.

What is the InChIKey of 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

The InChIKey is YDEOWXXFTIWISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O/c1-17-24(18-11-19(29)13-20(30)12-18)33-27-22(5-4-6-31-27)25(17)35-16-28(2,3)26-23(35)14-21(15-32-26)34-7-9-36-10-8-34/h4-6,11-15H,7-10,16H2,1-3H3.

What are the key properties of 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine?

4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine has a molecular weight of 487.55 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(3,5-difluorophenyl)-3-methyl-1,8-naphthyridin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 67284965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).