(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

C29H28F2N4O5 — CID 58053622

IUPAC(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCCCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)CC(=O)NC4=O)oc3cc2F)CC1
InChIInChI=1S/C29H28F2N4O5/c1-3-8-34-9-6-16(7-10-34)26-18(30)11-21-19(32-26)12-22(40-21)29(13-23(36)33-28(29)38)15-35-14-17-4-5-20(39-2)25(31)24(17)27(35)37/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,33,36,38)/t29-/m1/s1
InChIKeyDXEXPJMYLBQPIX-GDLZYMKVSA-N
MW550.56 g/mol
LogP3.55
Rot. Bonds7

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053622) has the molecular formula C29H28F2N4O5 and a molecular weight of 550.56 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID58053622
Molecular FormulaC29H28F2N4O5
Molecular Weight550.56 g/mol
Exact Mass550.20
IUPAC Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCCCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)CC(=O)NC4=O)oc3cc2F)CC1
InChIInChI=1S/C29H28F2N4O5/c1-3-8-34-9-6-16(7-10-34)26-18(30)11-21-19(32-26)12-22(40-21)29(13-23(36)33-28(29)38)15-35-14-17-4-5-20(39-2)25(31)24(17)27(35)37/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,33,36,38)/t29-/m1/s1
InChIKeyDXEXPJMYLBQPIX-GDLZYMKVSA-N
XLogP3.55
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053622) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is CCCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)CC(=O)NC4=O)oc3cc2F)CC1.
What is the InChIKey of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is DXEXPJMYLBQPIX-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28F2N4O5/c1-3-8-34-9-6-16(7-10-34)26-18(30)11-21-19(32-26)12-22(40-21)29(13-23(36)33-28(29)38)15-35-14-17-4-5-20(39-2)25(31)24(17)27(35)37/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,33,36,38)/t29-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 550.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).