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

C26H24N6O3 — CID 124975077

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

[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 124975077) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
• PubChem CID: 124975077
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
• SMILES: COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cncc(-c5cncnc5)c4)C3)n2)c1
• InChI: InChI=1S/C26H24N6O3/c1-34-22-5-2-6-23(9-22)35-25-15-28-14-24(31-25)18-4-3-7-32(16-18)26(33)20-8-19(10-27-11-20)21-12-29-17-30-13-21/h2,5-6,8-15,17-18H,3-4,7,16H2,1H3/t18-/m1/s1
• InChIKey: KVHPVSXZGUEHFE-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-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone?

The IUPAC name of [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone (CID 124975077) is [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cncc(-c5cncnc5)c4)C3)n2)c1.

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

The InChIKey is KVHPVSXZGUEHFE-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-34-22-5-2-6-23(9-22)35-25-15-28-14-24(31-25)18-4-3-7-32(16-18)26(33)20-8-19(10-27-11-20)21-12-29-17-30-13-21/h2,5-6,8-15,17-18H,3-4,7,16H2,1H3/t18-/m1/s1.

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

[(3R)-3-[6-(3-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-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124975077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).