1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one

C22H25N5O — CID 58483599

IUPAC1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O/c1-2-20-19-9-8-17(14-21(19)27(24-20)16-6-4-3-5-7-16)25-12-13-26(22(25)28)18-10-11-23-15-18/h3-9,14,18,23H,2,10-13,15H2,1H3
InChIKeyVCWNAKHCDADWIE-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.19
Rot. Bonds4

About 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one

1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one (PubChem CID 58483599) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
PubChem CID58483599
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one
SMILESCCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12
InChIInChI=1S/C22H25N5O/c1-2-20-19-9-8-17(14-21(19)27(24-20)16-6-4-3-5-7-16)25-12-13-26(22(25)28)18-10-11-23-15-18/h3-9,14,18,23H,2,10-13,15H2,1H3
InChIKeyVCWNAKHCDADWIE-UHFFFAOYSA-N
XLogP3.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one 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 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The IUPAC name of 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one (CID 58483599) is 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one is CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12.
What is the InChIKey of 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
The InChIKey is VCWNAKHCDADWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-20-19-9-8-17(14-21(19)27(24-20)16-6-4-3-5-7-16)25-12-13-26(22(25)28)18-10-11-23-15-18/h3-9,14,18,23H,2,10-13,15H2,1H3.
What are the key properties of 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one?
1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-phenylindazol-6-yl)-3-pyrrolidin-3-ylimidazolidin-2-one is sourced from PubChem (CID 58483599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).