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

C24H24N6O5 — CID 77403584

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CCNCC5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-20(26-17)29-8-6-25-7-9-29/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33)
InChIKeyWNMBFEGQCDGWCM-UHFFFAOYSA-N
MW476.49 g/mol
LogP0.94
Rot. Bonds5

About 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

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 (PubChem CID 77403584) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID77403584
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CCNCC5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H24N6O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-20(26-17)29-8-6-25-7-9-29/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33)
InChIKeyWNMBFEGQCDGWCM-UHFFFAOYSA-N
XLogP0.94
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(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
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
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
(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
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
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
(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
(5S)-5-[5-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199661
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
CID 77403705

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C(=O)N(CC1(c3cc4nc(N5CCNCC5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of 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?
The InChIKey is WNMBFEGQCDGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-34-15-3-2-14-12-30(21(31)16(14)10-15)13-24(22(32)27-23(33)28-24)19-11-17-18(35-19)4-5-20(26-17)29-8-6-25-7-9-29/h2-5,10-11,25H,6-9,12-13H2,1H3,(H2,27,28,32,33).
What are the key properties of 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?
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 has a molecular weight of 476.49 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 77403584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).