[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C20H22N6O — CID 124986992

About [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 124986992) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
• PubChem CID: 124986992
• Molecular Formula: C20H22N6O
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.19
• IUPAC Name: [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
• SMILES: Cc1ccc(C(=O)N2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)cn1
• InChI: InChI=1S/C20H22N6O/c1-14-4-5-16(10-23-14)20(27)26-8-2-3-15(13-26)9-17-11-25-18(12-24-17)19-21-6-7-22-19/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,21,22)/t15-/m1/s1
• InChIKey: OCOQGCSEOOKVQU-OAHLLOKOSA-N
• XLogP: 2.67
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 124986992) is [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

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

The canonical SMILES for [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC[C@H](Cc3cnc(-c4ncc[nH]4)cn3)C2)cn1.

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

The InChIKey is OCOQGCSEOOKVQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-4-5-16(10-23-14)20(27)26-8-2-3-15(13-26)9-17-11-25-18(12-24-17)19-21-6-7-22-19/h4-7,10-12,15H,2-3,8-9,13H2,1H3,(H,21,22)/t15-/m1/s1.

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

[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 124986992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).