2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C25H28FN3O3 — CID 171555884

About 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171555884) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• PubChem CID: 171555884
• Molecular Formula: C25H28FN3O3
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.21
• IUPAC Name: 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• SMILES: C=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3F)cc2nc1OC)C(=O)CCC
• InChI: InChI=1S/C25H28FN3O3/c1-6-8-22(30)15(4)9-14(3)17(7-2)18-10-16-13-27-23(12-21(16)28-25(18)32-5)29-24(31)19-11-20(19)26/h7,9-10,12-13,19-20H,4,6,8,11H2,1-3,5H3,(H,27,29,31)/b14-9-,17-7+
• InChIKey: PRXJAFDMUDCWRN-BTCXCELDSA-N
• XLogP: 5.21
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171555884) is 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is C=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3F)cc2nc1OC)C(=O)CCC.

What is the InChIKey of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The InChIKey is PRXJAFDMUDCWRN-BTCXCELDSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-6-8-22(30)15(4)9-14(3)17(7-2)18-10-16-13-27-23(12-21(16)28-25(18)32-5)29-24(31)19-11-20(19)26/h7,9-10,12-13,19-20H,4,6,8,11H2,1-3,5H3,(H,27,29,31)/b14-9-,17-7+.

What are the key properties of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171555884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).