[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H21N7O — CID 110110996

About [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110110996) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
• PubChem CID: 110110996
• Molecular Formula: C18H21N7O
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.18
• IUPAC Name: [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
• SMILES: Cc1cnc(-c2nccnc2C2CCCN(C(=O)c3cnn(C)c3)C2)[nH]1
• InChI: InChI=1S/C18H21N7O/c1-12-8-21-17(23-12)16-15(19-5-6-20-16)13-4-3-7-25(11-13)18(26)14-9-22-24(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,23)
• InChIKey: SXHDXVGAHQWBEB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?

The IUPAC name of [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110110996) is [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

What is the SMILES notation for [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?

The canonical SMILES for [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cnc(-c2nccnc2C2CCCN(C(=O)c3cnn(C)c3)C2)[nH]1.

What is the InChIKey of [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?

The InChIKey is SXHDXVGAHQWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-8-21-17(23-12)16-15(19-5-6-20-16)13-4-3-7-25(11-13)18(26)14-9-22-24(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,23).

What are the key properties of [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?

[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110110996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).