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

C26H24N6O3 — CID 110151938

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

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 110151938) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
• PubChem CID: 110151938
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
• SMILES: COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1
• InChI: InChI=1S/C26H24N6O3/c1-34-22-4-2-3-5-23(22)35-25-24(29-10-11-30-25)18-8-12-32(13-9-18)26(33)19-6-7-21(31-16-19)20-14-27-17-28-15-20/h2-7,10-11,14-18H,8-9,12-13H2,1H3
• InChIKey: VMOHWNYGDIOXGU-UHFFFAOYSA-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 [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?

The IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 110151938) is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccc(-c3cncnc3)nc2)CC1.

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

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

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

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-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 [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110151938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).