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

C30H23FN6O5 — CID 58053736

IUPAC(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cc5ccc(-c6cn[nH]c6)cn5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C30H23FN6O5/c1-41-23-6-3-17-14-37(28(39)26(17)27(23)31)15-30(10-25(38)36-29(30)40)24-9-21-22(42-24)7-5-20(35-21)8-19-4-2-16(11-32-19)18-12-33-34-13-18/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,33,34)(H,36,38,40)/t30-/m1/s1
InChIKeyPUYUPENVYXLLNS-SSEXGKCCSA-N
MW566.55 g/mol
LogP3.29
Rot. Bonds7

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053736) has the molecular formula C30H23FN6O5 and a molecular weight of 566.55 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID58053736
Molecular FormulaC30H23FN6O5
Molecular Weight566.55 g/mol
Exact Mass566.17
IUPAC Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cc5ccc(-c6cn[nH]c6)cn5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C30H23FN6O5/c1-41-23-6-3-17-14-37(28(39)26(17)27(23)31)15-30(10-25(38)36-29(30)40)24-9-21-22(42-24)7-5-20(35-21)8-19-4-2-16(11-32-19)18-12-33-34-13-18/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,33,34)(H,36,38,40)/t30-/m1/s1
InChIKeyPUYUPENVYXLLNS-SSEXGKCCSA-N
XLogP3.29
TPSA143.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione with MolForge

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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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053736) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cc5ccc(-c6cn[nH]c6)cn5)ccc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is PUYUPENVYXLLNS-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H23FN6O5/c1-41-23-6-3-17-14-37(28(39)26(17)27(23)31)15-30(10-25(38)36-29(30)40)24-9-21-22(42-24)7-5-20(35-21)8-19-4-2-16(11-32-19)18-12-33-34-13-18/h2-7,9,11-13H,8,10,14-15H2,1H3,(H,33,34)(H,36,38,40)/t30-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 566.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).