[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

C25H23FN6O — CID 125022986

About [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone

[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 125022986) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 125022986
• Molecular Formula: C25H23FN6O
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.19
• IUPAC Name: [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cc2ccc(F)cc2)nc1)N1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1
• InChI: InChI=1S/C25H23FN6O/c26-20-6-3-17(4-7-20)14-21-8-5-18(15-31-21)25(33)32-13-1-2-19(16-32)22-23(28-10-9-27-22)24-29-11-12-30-24/h3-12,15,19H,1-2,13-14,16H2,(H,29,30)/t19-/m1/s1
• InChIKey: YUQGZPAXKLCIPT-LJQANCHMSA-N
• XLogP: 4.01
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone (CID 125022986) is [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cc2ccc(F)cc2)nc1)N1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1.

What is the InChIKey of [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is YUQGZPAXKLCIPT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H23FN6O/c26-20-6-3-17(4-7-20)14-21-8-5-18(15-31-21)25(33)32-13-1-2-19(16-32)22-23(28-10-9-27-22)24-29-11-12-30-24/h3-12,15,19H,1-2,13-14,16H2,(H,29,30)/t19-/m1/s1.

What are the key properties of [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone?

[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 442.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(4-fluorophenyl)methyl]-3-pyridinyl]-[(3R)-3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 125022986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).