(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C20H13ClF2N4O5 — CID 46200284

IUPAC(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cl)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H13ClF2N4O5/c1-31-11-3-2-8-6-27(17(28)14(8)15(11)23)7-20(18(29)25-19(30)26-20)13-5-10-12(32-13)4-9(22)16(21)24-10/h2-5H,6-7H2,1H3,(H2,25,26,29,30)/t20-/m0/s1
InChIKeyLDLINXNHIZVOSH-FQEVSTJZSA-N
MW462.80 g/mol
LogP2.46
Rot. Bonds4

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

(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46200284) has the molecular formula C20H13ClF2N4O5 and a molecular weight of 462.80 g/mol. Its IUPAC name is (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID46200284
Molecular FormulaC20H13ClF2N4O5
Molecular Weight462.80 g/mol
Exact Mass462.05
IUPAC Name(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cl)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H13ClF2N4O5/c1-31-11-3-2-8-6-27(17(28)14(8)15(11)23)7-20(18(29)25-19(30)26-20)13-5-10-12(32-13)4-9(22)16(21)24-10/h2-5H,6-7H2,1H3,(H2,25,26,29,30)/t20-/m0/s1
InChIKeyLDLINXNHIZVOSH-FQEVSTJZSA-N
XLogP2.46
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-(5-chloro-6-fluorofuro[3,2-b]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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 46200284) is (5S)-5-(5-chloro-6-fluorofuro[3,2-b]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 (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(5-chloro-6-fluorofuro[3,2-b]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(C[C@@]1(c3cc4nc(Cl)c(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is LDLINXNHIZVOSH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H13ClF2N4O5/c1-31-11-3-2-8-6-27(17(28)14(8)15(11)23)7-20(18(29)25-19(30)26-20)13-5-10-12(32-13)4-9(22)16(21)24-10/h2-5H,6-7H2,1H3,(H2,25,26,29,30)/t20-/m0/s1.
What are the key properties of (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 462.80 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).