5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide

C26H20F2N4O2 — CID 167565921

About 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide

5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 167565921) has the molecular formula C26H20F2N4O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide
• PubChem CID: 167565921
• Molecular Formula: C26H20F2N4O2
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.16
• IUPAC Name: 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide
• SMILES: [C-]#[N+]c1cc(F)cc(-c2ncc(C(=O)N(C)Cc3ccc(F)c4c3CN=C4)cc2OC2CC2)c1
• InChI: InChI=1S/C26H20F2N4O2/c1-29-19-8-16(7-18(27)10-19)25-24(34-20-4-5-20)9-17(11-31-25)26(33)32(2)14-15-3-6-23(28)22-13-30-12-21(15)22/h3,6-11,13,20H,4-5,12,14H2,2H3
• InChIKey: FGXPUTWFUSYITB-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 59.15 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide (CID 167565921) is 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide is [C-]#[N+]c1cc(F)cc(-c2ncc(C(=O)N(C)Cc3ccc(F)c4c3CN=C4)cc2OC2CC2)c1.

What is the InChIKey of 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide?

The InChIKey is FGXPUTWFUSYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O2/c1-29-19-8-16(7-18(27)10-19)25-24(34-20-4-5-20)9-17(11-31-25)26(33)32(2)14-15-3-6-23(28)22-13-30-12-21(15)22/h3,6-11,13,20H,4-5,12,14H2,2H3.

What are the key properties of 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide?

5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyloxy-6-(3-fluoro-5-isocyanophenyl)-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).