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

C25H18FN5O5 — CID 70233987

IUPAC(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccncc5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H18FN5O5/c1-35-18-4-2-14-11-31(22(32)20(14)21(18)26)12-25(23(33)29-24(34)30-25)19-10-16-17(36-19)5-3-15(28-16)13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,29,30,33,34)/t25-/m0/s1
InChIKeyBJJCEMBESPBPRE-VWLOTQADSA-N
MW487.45 g/mol
LogP2.73
Rot. Bonds5

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

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 70233987) has the molecular formula C25H18FN5O5 and a molecular weight of 487.45 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
PubChem CID70233987
Molecular FormulaC25H18FN5O5
Molecular Weight487.45 g/mol
Exact Mass487.13
IUPAC Name(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccncc5)ccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H18FN5O5/c1-35-18-4-2-14-11-31(22(32)20(14)21(18)26)12-25(23(33)29-24(34)30-25)19-10-16-17(36-19)5-3-15(28-16)13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,29,30,33,34)/t25-/m0/s1
InChIKeyBJJCEMBESPBPRE-VWLOTQADSA-N
XLogP2.73
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 70233987) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccncc5)ccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
The InChIKey is BJJCEMBESPBPRE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H18FN5O5/c1-35-18-4-2-14-11-31(22(32)20(14)21(18)26)12-25(23(33)29-24(34)30-25)19-10-16-17(36-19)5-3-15(28-16)13-6-8-27-9-7-13/h2-10H,11-12H2,1H3,(H2,29,30,33,34)/t25-/m0/s1.
What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 487.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 70233987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).