5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H19FN6O — CID 166147771

About 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147771) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 166147771
• Molecular Formula: C20H19FN6O
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.16
• IUPAC Name: 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: Cc1ccc(OC2CCCC2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
• InChI: InChI=1S/C20H19FN6O/c1-12-6-7-16(28-14-4-2-3-5-14)19(20(12)21)15-8-17(27-26-15)25-18-11-23-13(9-22)10-24-18/h6-8,10-11,14H,2-5H2,1H3,(H2,24,25,26,27)
• InChIKey: OVWSJWUHFNYCKI-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 99.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147771) is 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is Cc1ccc(OC2CCCC2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.

What is the InChIKey of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is OVWSJWUHFNYCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12-6-7-16(28-14-4-2-3-5-14)19(20(12)21)15-8-17(27-26-15)25-18-11-23-13(9-22)10-24-18/h6-8,10-11,14H,2-5H2,1H3,(H2,24,25,26,27).

What are the key properties of 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 378.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).