5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C29H35N5O3 — CID 134329254

About 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 134329254) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
• PubChem CID: 134329254
• Molecular Formula: C29H35N5O3
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.27
• IUPAC Name: 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CC5C(=O)NC(=O)N5C)CC4)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C29H35N5O3/c1-16(2)26-22-14-20(6-7-23(22)31-27(26)21-12-17(3)30-18(4)13-21)19-8-10-34(11-9-19)25(35)15-24-28(36)32-29(37)33(24)5/h6-7,12-14,16,19,24,31H,8-11,15H2,1-5H3,(H,32,36,37)
• InChIKey: FHUWSHVVDKEZIV-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 134329254) is 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CC5C(=O)NC(=O)N5C)CC4)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

The InChIKey is FHUWSHVVDKEZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-16(2)26-22-14-20(6-7-23(22)31-27(26)21-12-17(3)30-18(4)13-21)19-8-10-34(11-9-19)25(35)15-24-28(36)32-29(37)33(24)5/h6-7,12-14,16,19,24,31H,8-11,15H2,1-5H3,(H,32,36,37).

What are the key properties of 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?

5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 501.63 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134329254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).