1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide

C26H22F2N4O3 — CID 134423684

About 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide

1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 134423684) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 134423684
• Molecular Formula: C26H22F2N4O3
• Molecular Weight: 476.48 g/mol
• Exact Mass: 476.17
• IUPAC Name: 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide
• SMILES: C/C(F)=C\C=C(/C)Cn1cccc(C(=O)Nc2ccc(Oc3cccn4nccc34)c(F)c2)c1=O
• InChI: InChI=1S/C26H22F2N4O3/c1-17(7-8-18(2)27)16-31-13-3-5-20(26(31)34)25(33)30-19-9-10-23(21(28)15-19)35-24-6-4-14-32-22(24)11-12-29-32/h3-15H,16H2,1-2H3,(H,30,33)/b17-7+,18-8+
• InChIKey: BMJLWEOEBCFSGU-ZEELXFFVSA-N
• XLogP: 5.50
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.48
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide (CID 134423684) is 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide is C/C(F)=C\C=C(/C)Cn1cccc(C(=O)Nc2ccc(Oc3cccn4nccc34)c(F)c2)c1=O.

What is the InChIKey of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is BMJLWEOEBCFSGU-ZEELXFFVSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c1-17(7-8-18(2)27)16-31-13-3-5-20(26(31)34)25(33)30-19-9-10-23(21(28)15-19)35-24-6-4-14-32-22(24)11-12-29-32/h3-15H,16H2,1-2H3,(H,30,33)/b17-7+,18-8+.

What are the key properties of 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide?

1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 476.48 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).