1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

C66H61BrF4N6O10 — CID 160723877

About 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone

1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (PubChem CID 160723877) has the molecular formula C66H61BrF4N6O10 and a molecular weight of 1254.14 g/mol. Its IUPAC name is 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• PubChem CID: 160723877
• Molecular Formula: C66H61BrF4N6O10
• Molecular Weight: 1254.14 g/mol
• Exact Mass: 1252.36
• IUPAC Name: 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone
• SMILES: O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4c(Br)c(OCCN5CCOCC5)ncc34)c(F)c2)CC1.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)ncc34)c(F)c2)CC1
• InChI: InChI=1S/C33H30BrF2N3O5.C33H31F2N3O5/c34-30-31-24(20-38-32(30)43-16-13-39-11-14-42-15-12-39)26(7-10-37-31)44-27-6-3-22(17-25(27)36)19-29(41)33(8-9-33)28(40)18-21-1-4-23(35)5-2-21;34-24-4-1-22(2-5-24)18-30(39)33(8-9-33)31(40)19-23-3-6-29(26(35)17-23)43-28-7-10-36-27-20-32(37-21-25(27)28)42-16-13-38-11-14-41-15-12-38/h1-7,10,17,20H,8-9,11-16,18-19H2;1-7,10,17,20-21H,8-9,11-16,18-19H2
• InChIKey: RTLJFXRJGWJWIO-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 181.70 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1254.14
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The IUPAC name of 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone (CID 160723877) is 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone.

What is the SMILES notation for 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The canonical SMILES for 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4c(Br)c(OCCN5CCOCC5)ncc34)c(F)c2)CC1.O=C(Cc1ccc(F)cc1)C1(C(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCOCC5)ncc34)c(F)c2)CC1.

What is the InChIKey of 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

The InChIKey is RTLJFXRJGWJWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30BrF2N3O5.C33H31F2N3O5/c34-30-31-24(20-38-32(30)43-16-13-39-11-14-42-15-12-39)26(7-10-37-31)44-27-6-3-22(17-25(27)36)19-29(41)33(8-9-33)28(40)18-21-1-4-23(35)5-2-21;34-24-4-1-22(2-5-24)18-30(39)33(8-9-33)31(40)19-23-3-6-29(26(35)17-23)43-28-7-10-36-27-20-32(37-21-25(27)28)42-16-13-38-11-14-41-15-12-38/h1-7,10,17,20H,8-9,11-16,18-19H2;1-7,10,17,20-21H,8-9,11-16,18-19H2.

What are the key properties of 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone?

1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone has a molecular weight of 1254.14 g/mol, XLogP of 10.99, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[4-[[8-bromo-7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone;1-[1-[2-[3-fluoro-4-[[7-(2-morpholin-4-ylethoxy)-1,6-naphthyridin-4-yl]oxy]phenyl]acetyl]cyclopropyl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 160723877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).