1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C30H25F2N5O4 — CID 134375089

About 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 134375089) has the molecular formula C30H25F2N5O4 and a molecular weight of 557.56 g/mol. Its IUPAC name is 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 134375089
• Molecular Formula: C30H25F2N5O4
• Molecular Weight: 557.56 g/mol
• Exact Mass: 557.19
• IUPAC Name: 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: Cc1noc(C)c1-c1cc2nccc(OC3=CCC(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)C=C3F)c2cn1
• InChI: InChI=1S/C30H25F2N5O4/c1-16-27(17(2)41-37-16)24-14-23-21(15-34-24)25(9-12-33-23)40-26-8-7-20(13-22(26)32)36-29(39)30(10-11-30)28(38)35-19-5-3-18(31)4-6-19/h3-6,8-9,12-15,20H,7,10-11H2,1-2H3,(H,35,38)(H,36,39)
• InChIKey: MTQZVFIQJAFPAH-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 119.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
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-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 134375089) is 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is Cc1noc(C)c1-c1cc2nccc(OC3=CCC(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)C=C3F)c2cn1.

What is the InChIKey of 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is MTQZVFIQJAFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O4/c1-16-27(17(2)41-37-16)24-14-23-21(15-34-24)25(9-12-33-23)40-26-8-7-20(13-22(26)32)36-29(39)30(10-11-30)28(38)35-19-5-3-18(31)4-6-19/h3-6,8-9,12-15,20H,7,10-11H2,1-2H3,(H,35,38)(H,36,39).

What are the key properties of 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 557.56 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,6-naphthyridin-4-yl]oxy]-3-fluorocyclohexa-2,4-dien-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 134375089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).