1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone

C24H29N7O — CID 110152781

About 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone

1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone (PubChem CID 110152781) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
• PubChem CID: 110152781
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone
• SMILES: Cc1nccn1-c1cccc(C2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1
• InChI: InChI=1S/C24H29N7O/c1-18-25-12-16-30(18)22-7-2-5-20(28-22)21-6-3-13-31(21)23(32)17-19-8-14-29(15-9-19)24-26-10-4-11-27-24/h2,4-5,7,10-12,16,19,21H,3,6,8-9,13-15,17H2,1H3
• InChIKey: GSVMOJOMCISCNS-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 80.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone?

The IUPAC name of 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone (CID 110152781) is 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone is Cc1nccn1-c1cccc(C2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1.

What is the InChIKey of 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone?

The InChIKey is GSVMOJOMCISCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-18-25-12-16-30(18)22-7-2-5-20(28-22)21-6-3-13-31(21)23(32)17-19-8-14-29(15-9-19)24-26-10-4-11-27-24/h2,4-5,7,10-12,16,19,21H,3,6,8-9,13-15,17H2,1H3.

What are the key properties of 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone?

1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone has a molecular weight of 431.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 110152781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).