1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide

C32H25F2N4O3P — CID 155276575

About 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155276575) has the molecular formula C32H25F2N4O3P and a molecular weight of 582.55 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 155276575
• Molecular Formula: C32H25F2N4O3P
• Molecular Weight: 582.55 g/mol
• Exact Mass: 582.16
• IUPAC Name: 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
• SMILES: Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc5cc(-c6ccc(P)c(F)c6)ncc45)c(F)c3)CC2)cc1
• InChI: InChI=1S/C32H25F2N4O3P/c1-18-2-5-20(6-3-18)37-30(39)32(11-12-32)31(40)38-21-7-8-28(23(33)15-21)41-27-10-13-35-26-16-25(36-17-22(26)27)19-4-9-29(42)24(34)14-19/h2-10,13-17H,11-12,42H2,1H3,(H,37,39)(H,38,40)
• InChIKey: CEQWUKLZMUBQPZ-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.55
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 155276575) is 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide.

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

The canonical SMILES for 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc5cc(-c6ccc(P)c(F)c6)ncc45)c(F)c3)CC2)cc1.

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

The InChIKey is CEQWUKLZMUBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N4O3P/c1-18-2-5-20(6-3-18)37-30(39)32(11-12-32)31(40)38-21-7-8-28(23(33)15-21)41-27-10-13-35-26-16-25(36-17-22(26)27)19-4-9-29(42)24(34)14-19/h2-10,13-17H,11-12,42H2,1H3,(H,37,39)(H,38,40).

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

1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 582.55 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[3-fluoro-4-[[7-(3-fluoro-4-phosphanylphenyl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155276575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).