3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea

C31H41N7O4 — CID 23630312

About 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea

3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea (PubChem CID 23630312) has the molecular formula C31H41N7O4 and a molecular weight of 575.71 g/mol. Its IUPAC name is 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea.

Molecular Properties

• Compound Name: 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea
• PubChem CID: 23630312
• Molecular Formula: C31H41N7O4
• Molecular Weight: 575.71 g/mol
• Exact Mass: 575.32
• IUPAC Name: 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea
• SMILES: CN(C)C(=O)Nc1cc(CN2C(=O)N(c3ccc4c(c3)N(C(=O)CNC3CCCC3)CC4(C)C)C(=O)C2(C)C)ccn1
• InChI: InChI=1S/C31H41N7O4/c1-30(2)19-36(26(39)17-33-21-9-7-8-10-21)24-16-22(11-12-23(24)30)38-27(40)31(3,4)37(29(38)42)18-20-13-14-32-25(15-20)34-28(41)35(5)6/h11-16,21,33H,7-10,17-19H2,1-6H3,(H,32,34,41)
• InChIKey: DICAVLSPEQHCED-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 118.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.71
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea?

The IUPAC name of 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea (CID 23630312) is 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea.

What is the SMILES notation for 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea?

The canonical SMILES for 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cc(CN2C(=O)N(c3ccc4c(c3)N(C(=O)CNC3CCCC3)CC4(C)C)C(=O)C2(C)C)ccn1.

What is the InChIKey of 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea?

The InChIKey is DICAVLSPEQHCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O4/c1-30(2)19-36(26(39)17-33-21-9-7-8-10-21)24-16-22(11-12-23(24)30)38-27(40)31(3,4)37(29(38)42)18-20-13-14-32-25(15-20)34-28(41)35(5)6/h11-16,21,33H,7-10,17-19H2,1-6H3,(H,32,34,41).

What are the key properties of 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea?

3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea has a molecular weight of 575.71 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[3-[1-[2-(cyclopentylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea is sourced from PubChem (CID 23630312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).