1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

C19H26N6O — CID 95838733

About 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95838733) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 95838733
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)CC1
• InChI: InChI=1S/C19H26N6O/c1-14-21-7-11-24(14)19-13-20-12-17(22-19)18-4-3-8-25(18)16-5-9-23(10-6-16)15(2)26/h7,11-13,16,18H,3-6,8-10H2,1-2H3/t18-/m1/s1
• InChIKey: GBDMFJKADSUKQL-GOSISDBHSA-N
• XLogP: 2.12
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 95838733) is 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)CC1.

What is the InChIKey of 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?

The InChIKey is GBDMFJKADSUKQL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-21-7-11-24(14)19-13-20-12-17(22-19)18-4-3-8-25(18)16-5-9-23(10-6-16)15(2)26/h7,11-13,16,18H,3-6,8-10H2,1-2H3/t18-/m1/s1.

What are the key properties of 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?

1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95838733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).