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

C29H22F2N6O3 — CID 134360714

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

1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 134360714) has the molecular formula C29H22F2N6O3 and a molecular weight of 540.53 g/mol. Its IUPAC name is 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 134360714
• Molecular Formula: C29H22F2N6O3
• Molecular Weight: 540.53 g/mol
• Exact Mass: 540.17
• IUPAC Name: 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: Cn1cc(-c2cc3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c3cn2)cn1
• InChI: InChI=1S/C29H22F2N6O3/c1-36-16-17(14-35-36)23-13-24-21(15-34-23)25(8-11-33-24)40-26-7-6-20(12-22(26)31)37(19-4-2-18(30)3-5-19)28(39)29(9-10-29)27(32)38/h2-8,11-16H,9-10H2,1H3,(H2,32,38)
• InChIKey: UAMVUAKXARBGRE-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 116.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.53
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 134360714) is 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

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

The canonical SMILES for 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cn1cc(-c2cc3nccc(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)c3cn2)cn1.

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

The InChIKey is UAMVUAKXARBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N6O3/c1-36-16-17(14-35-36)23-13-24-21(15-34-23)25(8-11-33-24)40-26-7-6-20(12-22(26)31)37(19-4-2-18(30)3-5-19)28(39)29(9-10-29)27(32)38/h2-8,11-16H,9-10H2,1H3,(H2,32,38).

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

1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 540.53 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[3-fluoro-4-[[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 134360714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).