6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile

C26H26FN5O — CID 142510542

About 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile

6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 142510542) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
• PubChem CID: 142510542
• Molecular Formula: C26H26FN5O
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.21
• IUPAC Name: 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
• SMILES: CCCC(C)(F)Cn1cc(-c2ccc(C#N)nc2-c2ccc3c(c2)C(=O)N(C2CC2)C3)cn1
• InChI: InChI=1S/C26H26FN5O/c1-3-10-26(2,27)16-31-14-19(13-29-31)22-9-6-20(12-28)30-24(22)17-4-5-18-15-32(21-7-8-21)25(33)23(18)11-17/h4-6,9,11,13-14,21H,3,7-8,10,15-16H2,1-2H3
• InChIKey: WTBBJRQKIKFGDF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 74.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 142510542) is 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile is CCCC(C)(F)Cn1cc(-c2ccc(C#N)nc2-c2ccc3c(c2)C(=O)N(C2CC2)C3)cn1.

What is the InChIKey of 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The InChIKey is WTBBJRQKIKFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-3-10-26(2,27)16-31-14-19(13-29-31)22-9-6-20(12-28)30-24(22)17-4-5-18-15-32(21-7-8-21)25(33)23(18)11-17/h4-6,9,11,13-14,21H,3,7-8,10,15-16H2,1-2H3.

What are the key properties of 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile?

6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 443.53 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 142510542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).