[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone

C26H24N6O3 — CID 124982819

About [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone

[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone (PubChem CID 124982819) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
• PubChem CID: 124982819
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
• SMILES: COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccnc(-c5cncnc5)c4)C3)n2)c1
• InChI: InChI=1S/C26H24N6O3/c1-34-21-5-2-6-22(11-21)35-25-15-27-14-24(31-25)19-4-3-9-32(16-19)26(33)18-7-8-30-23(10-18)20-12-28-17-29-13-20/h2,5-8,10-15,17,19H,3-4,9,16H2,1H3/t19-/m0/s1
• InChIKey: MZTAUNYFUBOVII-IBGZPJMESA-N
• XLogP: 4.15
• TPSA: 103.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone?

The IUPAC name of [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone (CID 124982819) is [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone.

What is the SMILES notation for [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone?

The canonical SMILES for [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone is COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccnc(-c5cncnc5)c4)C3)n2)c1.

What is the InChIKey of [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone?

The InChIKey is MZTAUNYFUBOVII-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N6O3/c1-34-21-5-2-6-22(11-21)35-25-15-27-14-24(31-25)19-4-3-9-32(16-19)26(33)18-7-8-30-23(10-18)20-12-28-17-29-13-20/h2,5-8,10-15,17,19H,3-4,9,16H2,1H3/t19-/m0/s1.

What are the key properties of [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone?

[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone has a molecular weight of 468.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone is sourced from PubChem (CID 124982819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).