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

C26H24N6O2 — CID 125002633

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

[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 125002633) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
• PubChem CID: 125002633
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
• SMILES: Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)C1
• InChI: InChI=1S/C26H24N6O2/c1-18-5-2-3-7-23(18)34-25-24(29-10-11-30-25)20-6-4-12-32(16-20)26(33)19-8-9-22(31-15-19)21-13-27-17-28-14-21/h2-3,5,7-11,13-15,17,20H,4,6,12,16H2,1H3/t20-/m1/s1
• InChIKey: SLVNVMXQHJCOTR-HXUWFJFHSA-N
• XLogP: 4.45
• TPSA: 93.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 125002633) is [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is Cc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)nc2)C1.

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

The InChIKey is SLVNVMXQHJCOTR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-18-5-2-3-7-23(18)34-25-24(29-10-11-30-25)20-6-4-12-32(16-20)26(33)19-8-9-22(31-15-19)21-13-27-17-28-14-21/h2-3,5,7-11,13-15,17,20H,4,6,12,16H2,1H3/t20-/m1/s1.

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

[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 452.52 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 125002633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).