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

C26H24N6O3 — CID 124987464

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

[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 124987464) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
• PubChem CID: 124987464
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
• SMILES: COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cncc(-c4cncnc4)c3)C2)cc1
• InChI: InChI=1S/C26H24N6O3/c1-34-22-4-6-23(7-5-22)35-25-24(30-8-9-31-25)18-3-2-10-32(16-18)26(33)20-11-19(12-27-13-20)21-14-28-17-29-15-21/h4-9,11-15,17-18H,2-3,10,16H2,1H3/t18-/m1/s1
• InChIKey: OFXYREBLCCCWSY-GOSISDBHSA-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 [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?

The IUPAC name of [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (CID 124987464) is [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is COc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)c3cncc(-c4cncnc4)c3)C2)cc1.

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

The InChIKey is OFXYREBLCCCWSY-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-34-22-4-6-23(7-5-22)35-25-24(30-8-9-31-25)18-3-2-10-32(16-18)26(33)20-11-19(12-27-13-20)21-14-28-17-29-15-21/h4-9,11-15,17-18H,2-3,10,16H2,1H3/t18-/m1/s1.

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

[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-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 [(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124987464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).