[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone

C24H27FN6O2 — CID 124975201

About [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone

[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone (PubChem CID 124975201) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone.

Molecular Properties

• Compound Name: [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
• PubChem CID: 124975201
• Molecular Formula: C24H27FN6O2
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.22
• IUPAC Name: [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone
• SMILES: CN1CC[C@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1
• InChI: InChI=1S/C24H27FN6O2/c1-29-11-8-20(16-29)31-15-18(14-28-31)24(32)30-12-6-17(7-13-30)22-23(27-10-9-26-22)33-21-4-2-19(25)3-5-21/h2-5,9-10,14-15,17,20H,6-8,11-13,16H2,1H3/t20-/m0/s1
• InChIKey: KWEWVRGNUPHICA-FQEVSTJZSA-N
• XLogP: 3.50
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone?

The IUPAC name of [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone (CID 124975201) is [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone.

What is the SMILES notation for [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone?

The canonical SMILES for [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone is CN1CC[C@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1.

What is the InChIKey of [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone?

The InChIKey is KWEWVRGNUPHICA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-29-11-8-20(16-29)31-15-18(14-28-31)24(32)30-12-6-17(7-13-30)22-23(27-10-9-26-22)33-21-4-2-19(25)3-5-21/h2-5,9-10,14-15,17,20H,6-8,11-13,16H2,1H3/t20-/m0/s1.

What are the key properties of [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone?

[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone has a molecular weight of 450.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]methanone is sourced from PubChem (CID 124975201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).