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

C23H16F2N6O7 — CID 58053137

IUPAC(5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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(N5CC(=O)NC5=O)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H16F2N6O7/c1-37-12-3-2-9-6-30(19(33)16(9)17(12)25)8-23(20(34)28-21(35)29-23)14-5-11-13(38-14)4-10(24)18(26-11)31-7-15(32)27-22(31)36/h2-5H,6-8H2,1H3,(H,27,32,36)(H2,28,29,34,35)/t23-/m0/s1
InChIKeyZIOJCUCJWWMPNR-QHCPKHFHSA-N
MW526.41 g/mol
LogP0.86
Rot. Bonds5

About (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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 58053137) has the molecular formula C23H16F2N6O7 and a molecular weight of 526.41 g/mol. Its IUPAC name is (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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 CID58053137
Molecular FormulaC23H16F2N6O7
Molecular Weight526.41 g/mol
Exact Mass526.10
IUPAC Name(5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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(N5CC(=O)NC5=O)c(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H16F2N6O7/c1-37-12-3-2-9-6-30(19(33)16(9)17(12)25)8-23(20(34)28-21(35)29-23)14-5-11-13(38-14)4-10(24)18(26-11)31-7-15(32)27-22(31)36/h2-5H,6-8H2,1H3,(H,27,32,36)(H2,28,29,34,35)/t23-/m0/s1
InChIKeyZIOJCUCJWWMPNR-QHCPKHFHSA-N
XLogP0.86
TPSA163.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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 58053137) is (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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(N5CC(=O)NC5=O)c(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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 ZIOJCUCJWWMPNR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H16F2N6O7/c1-37-12-3-2-9-6-30(19(33)16(9)17(12)25)8-23(20(34)28-21(35)29-23)14-5-11-13(38-14)4-10(24)18(26-11)31-7-15(32)27-22(31)36/h2-5H,6-8H2,1H3,(H,27,32,36)(H2,28,29,34,35)/t23-/m0/s1.
What are the key properties of (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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-(2,4-dioxoimidazolidin-1-yl)-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 526.41 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-(2,4-dioxoimidazolidin-1-yl)-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 58053137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).