5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H16ClFN4O5 — CID 90896220

IUPAC5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CC(Cl)N=C4)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16ClFN4O5/c1-30-11-3-2-9-7-26(17(27)15(9)16(11)22)8-20(18(28)24-19(29)25-20)13-4-10-6-23-14(21)5-12(10)31-13/h2-4,6,14H,5,7-8H2,1H3,(H2,24,25,28,29)
InChIKeyLZNXSZFUBQGWJF-UHFFFAOYSA-N
MW446.82 g/mol
LogP1.66
Rot. Bonds4

About 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90896220) has the molecular formula C20H16ClFN4O5 and a molecular weight of 446.82 g/mol. Its IUPAC name is 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90896220
Molecular FormulaC20H16ClFN4O5
Molecular Weight446.82 g/mol
Exact Mass446.08
IUPAC Name5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CC(Cl)N=C4)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16ClFN4O5/c1-30-11-3-2-9-7-26(17(27)15(9)16(11)22)8-20(18(28)24-19(29)25-20)13-4-10-6-23-14(21)5-12(10)31-13/h2-4,6,14H,5,7-8H2,1H3,(H2,24,25,28,29)
InChIKeyLZNXSZFUBQGWJF-UHFFFAOYSA-N
XLogP1.66
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.82
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-oxo-5H-furo[3,2-c]pyridin-2-yl)imidazolidine-2,4-dione
CID 58053678
(5S)-5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58054076
(R)-5-(furan-2-yl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46881609
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)-3-(methoxymethyl)imidazolidine-2,4-dione
CID 46190146
(5S)-5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199191
(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
CID 46199192
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(furan-2-yl)imidazolidine-2,4-dione
CID 46199193
6-fluoro-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-5-carboxamide
CID 46200443
(5S)-5-(5,7-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561295
(5S)-5-(5,6-difluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561400
(5S)-5-(6-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561498
(5S)-5-(5-fluoro-1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561522

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90896220) is 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4c(o3)CC(Cl)N=C4)NC(=O)NC1=O)C2.
What is the InChIKey of 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LZNXSZFUBQGWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O5/c1-30-11-3-2-9-7-26(17(27)15(9)16(11)22)8-20(18(28)24-19(29)25-20)13-4-10-6-23-14(21)5-12(10)31-13/h2-4,6,14H,5,7-8H2,1H3,(H2,24,25,28,29).
What are the key properties of 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 446.82 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-6,7-dihydrofuro[3,2-c]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90896220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).