1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide

C27H23F2N5O3 — CID 134360738

About 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 134360738) has the molecular formula C27H23F2N5O3 and a molecular weight of 503.51 g/mol. Its IUPAC name is 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 134360738
• Molecular Formula: C27H23F2N5O3
• Molecular Weight: 503.51 g/mol
• Exact Mass: 503.18
• IUPAC Name: 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: CN(C)c1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4cccc(F)c4)cc3F)c2cn1
• InChI: InChI=1S/C27H23F2N5O3/c1-33(2)24-14-21-19(15-32-24)22(8-11-31-21)37-23-7-6-18(13-20(23)29)34(17-5-3-4-16(28)12-17)26(36)27(9-10-27)25(30)35/h3-8,11-15H,9-10H2,1-2H3,(H2,30,35)
• InChIKey: BDQFCOJGQWMHCK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 101.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 134360738) is 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN(C)c1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4cccc(F)c4)cc3F)c2cn1.

What is the InChIKey of 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is BDQFCOJGQWMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O3/c1-33(2)24-14-21-19(15-32-24)22(8-11-31-21)37-23-7-6-18(13-20(23)29)34(17-5-3-4-16(28)12-17)26(36)27(9-10-27)25(30)35/h3-8,11-15H,9-10H2,1-2H3,(H2,30,35).

What are the key properties of 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 503.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[4-[[7-(dimethylamino)-1,6-naphthyridin-4-yl]oxy]-3-fluorophenyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 134360738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).