3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione

C25H26N4O4 — CID 66636214

IUPAC3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4C(=O)COC4=O)cc32)c(C)c1CN1C[C@H]2C[C@H]2C1
InChIInChI=1S/C25H26N4O4/c1-13-20(11-28-9-16-6-17(16)10-28)14(2)26-22(13)7-19-18-5-15(3-4-21(18)27-24(19)31)8-29-23(30)12-33-25(29)32/h3-5,7,16-17,26H,6,8-12H2,1-2H3,(H,27,31)/b19-7-/t16-,17+
InChIKeyJEHKSYLIQCNXEY-DVVBEQLKSA-N
MW446.51 g/mol
LogP3.05
Rot. Bonds5

About 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 66636214) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID66636214
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4C(=O)COC4=O)cc32)c(C)c1CN1C[C@H]2C[C@H]2C1
InChIInChI=1S/C25H26N4O4/c1-13-20(11-28-9-16-6-17(16)10-28)14(2)26-22(13)7-19-18-5-15(3-4-21(18)27-24(19)31)8-29-23(30)12-33-25(29)32/h3-5,7,16-17,26H,6,8-12H2,1-2H3,(H,27,31)/b19-7-/t16-,17+
InChIKeyJEHKSYLIQCNXEY-DVVBEQLKSA-N
XLogP3.05
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 66636214) is 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4C(=O)COC4=O)cc32)c(C)c1CN1C[C@H]2C[C@H]2C1.
What is the InChIKey of 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is JEHKSYLIQCNXEY-DVVBEQLKSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-13-20(11-28-9-16-6-17(16)10-28)14(2)26-22(13)7-19-18-5-15(3-4-21(18)27-24(19)31)8-29-23(30)12-33-25(29)32/h3-5,7,16-17,26H,6,8-12H2,1-2H3,(H,27,31)/b19-7-/t16-,17+.
What are the key properties of 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 446.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 66636214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).