1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone

C24H26FN7O — CID 147845265

About 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone

1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone (PubChem CID 147845265) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
• PubChem CID: 147845265
• Molecular Formula: C24H26FN7O
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.22
• IUPAC Name: 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
• SMILES: Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(CCF)CC5)c4)nc3c2)cn1
• InChI: InChI=1S/C24H26FN7O/c1-30-15-19(13-27-30)17-2-3-18-12-26-24(29-22(18)10-17)11-23(33)20-14-28-32(16-20)21-4-7-31(8-5-21)9-6-25/h2-3,10,12-16,21H,4-9,11H2,1H3
• InChIKey: HTTNJBGIPCCGFN-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 81.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?

The IUPAC name of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone (CID 147845265) is 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone.

What is the SMILES notation for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?

The canonical SMILES for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(CCF)CC5)c4)nc3c2)cn1.

What is the InChIKey of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?

The InChIKey is HTTNJBGIPCCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-30-15-19(13-27-30)17-2-3-18-12-26-24(29-22(18)10-17)11-23(33)20-14-28-32(16-20)21-4-7-31(8-5-21)9-6-25/h2-3,10,12-16,21H,4-9,11H2,1H3.

What are the key properties of 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone?

1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone has a molecular weight of 447.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone is sourced from PubChem (CID 147845265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).