6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C25H28N6O5 — CID 143990599

IUPAC6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCC1(c2cc3nc(N4CCNCC4)ccc3o2)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C15H17N5O3.C10H11NO2/c1-15(13(21)18-14(22)19-15)11-8-9-10(23-11)2-3-12(17-9)20-6-4-16-5-7-20;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-3,8,16H,4-7H2,1H3,(H2,18,19,21,22);3-5H,6H2,1-2H3
InChIKeyHURVLUIYMGJEHT-UHFFFAOYSA-N
MW492.54 g/mol
LogP1.57
Rot. Bonds3

About 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 143990599) has the molecular formula C25H28N6O5 and a molecular weight of 492.54 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID143990599
Molecular FormulaC25H28N6O5
Molecular Weight492.54 g/mol
Exact Mass492.21
IUPAC Name6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCC1(c2cc3nc(N4CCNCC4)ccc3o2)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2
InChIInChI=1S/C15H17N5O3.C10H11NO2/c1-15(13(21)18-14(22)19-15)11-8-9-10(23-11)2-3-12(17-9)20-6-4-16-5-7-20;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-3,8,16H,4-7H2,1H3,(H2,18,19,21,22);3-5H,6H2,1-2H3
InChIKeyHURVLUIYMGJEHT-UHFFFAOYSA-N
XLogP1.57
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-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

Related Compounds

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 77403584
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200761
(3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053517
6-methoxy-2-methyl-3H-isoindol-1-one;methyl (NE,1Z)-N-[[2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-1-benzofuran-6-yl]methylidene]ethanehydrazonate
CID 143990023
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403598
ethyl 1-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]piperidine-3-carboxylate
CID 70234906
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054049
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 90984578
(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199982
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70235435
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70236037
(5S)-5-(5-aminofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158946537

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 143990599) is 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is CC1(c2cc3nc(N4CCNCC4)ccc3o2)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C)C2.
What is the InChIKey of 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is HURVLUIYMGJEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3.C10H11NO2/c1-15(13(21)18-14(22)19-15)11-8-9-10(23-11)2-3-12(17-9)20-6-4-16-5-7-20;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h2-3,8,16H,4-7H2,1H3,(H2,18,19,21,22);3-5H,6H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 492.54 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3H-isoindol-1-one;5-methyl-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 143990599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).