[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C25H24N6O2 — CID 125010503

About [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 125010503) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• PubChem CID: 125010503
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• SMILES: Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)n2)c1
• InChI: InChI=1S/C25H24N6O2/c1-18-5-2-7-21(13-18)33-24-16-26-15-22(29-24)20-6-3-11-30(17-20)25(32)19-8-9-23(27-14-19)31-12-4-10-28-31/h2,4-5,7-10,12-16,20H,3,6,11,17H2,1H3/t20-/m0/s1
• InChIKey: VJVDLVRPBUZKEJ-FQEVSTJZSA-N
• XLogP: 4.18
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The IUPAC name of [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 125010503) is [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

What is the SMILES notation for [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The canonical SMILES for [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccc(-n5cccn5)nc4)C3)n2)c1.

What is the InChIKey of [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The InChIKey is VJVDLVRPBUZKEJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-5-2-7-21(13-18)33-24-16-26-15-22(29-24)20-6-3-11-30(17-20)25(32)19-8-9-23(27-14-19)31-12-4-10-28-31/h2,4-5,7-10,12-16,20H,3,6,11,17H2,1H3/t20-/m0/s1.

What are the key properties of [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 440.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 125010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).