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

C26H19F2N5O5 — CID 58053865

IUPAC(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cncc(F)c5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C26H19F2N5O5/c1-37-18-3-2-13-11-33(24(35)22(13)23(18)28)12-26(8-21(34)32-25(26)36)19-7-16-17(38-19)4-5-20(31-16)30-15-6-14(27)9-29-10-15/h2-7,9-10H,8,11-12H2,1H3,(H,30,31)(H,32,34,36)/t26-/m1/s1
InChIKeyVASLOPVJUNXPHJ-AREMUKBSSA-N
MW519.46 g/mol
LogP3.19
Rot. Bonds6

About (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 58053865) has the molecular formula C26H19F2N5O5 and a molecular weight of 519.46 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID58053865
Molecular FormulaC26H19F2N5O5
Molecular Weight519.46 g/mol
Exact Mass519.14
IUPAC Name(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cncc(F)c5)ccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C26H19F2N5O5/c1-37-18-3-2-13-11-33(24(35)22(13)23(18)28)12-26(8-21(34)32-25(26)36)19-7-16-17(38-19)4-5-20(31-16)30-15-6-14(27)9-29-10-15/h2-7,9-10H,8,11-12H2,1H3,(H,30,31)(H,32,34,36)/t26-/m1/s1
InChIKeyVASLOPVJUNXPHJ-AREMUKBSSA-N
XLogP3.19
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[5-[(5-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 58053865) is (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Nc5cncc(F)c5)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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is VASLOPVJUNXPHJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H19F2N5O5/c1-37-18-3-2-13-11-33(24(35)22(13)23(18)28)12-26(8-21(34)32-25(26)36)19-7-16-17(38-19)4-5-20(31-16)30-15-6-14(27)9-29-10-15/h2-7,9-10H,8,11-12H2,1H3,(H,30,31)(H,32,34,36)/t26-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(5-fluoro-3-pyridinyl)amino]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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 519.46 g/mol, XLogP of 3.19, 6 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-fluoro-3-pyridinyl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).