(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

C25H19N5O5 — CID 58053317

IUPAC(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5cccnc5)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H19N5O5/c1-34-16-5-4-15-12-30(22(31)17(15)9-16)13-25(23(32)28-24(33)29-25)20-10-18-19(35-20)6-8-27-21(18)14-3-2-7-26-11-14/h2-11H,12-13H2,1H3,(H2,28,29,32,33)/t25-/m0/s1
InChIKeyIJXIMMSKRLRQNO-VWLOTQADSA-N
MW469.46 g/mol
LogP2.59
Rot. Bonds5

About (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 58053317) has the molecular formula C25H19N5O5 and a molecular weight of 469.46 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID58053317
Molecular FormulaC25H19N5O5
Molecular Weight469.46 g/mol
Exact Mass469.14
IUPAC Name(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5cccnc5)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H19N5O5/c1-34-16-5-4-15-12-30(22(31)17(15)9-16)13-25(23(32)28-24(33)29-25)20-10-18-19(35-20)6-8-27-21(18)14-3-2-7-26-11-14/h2-11H,12-13H2,1H3,(H2,28,29,32,33)/t25-/m0/s1
InChIKeyIJXIMMSKRLRQNO-VWLOTQADSA-N
XLogP2.59
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione (CID 58053317) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5cccnc5)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is IJXIMMSKRLRQNO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19N5O5/c1-34-16-5-4-15-12-30(22(31)17(15)9-16)13-25(23(32)28-24(33)29-25)20-10-18-19(35-20)6-8-27-21(18)14-3-2-7-26-11-14/h2-11H,12-13H2,1H3,(H2,28,29,32,33)/t25-/m0/s1.
What are the key properties of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 469.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-3-ylfuro[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).