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

C20H15FN4O5 — CID 58053157

IUPAC(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ncc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H15FN4O5/c1-29-12-3-2-10-8-25(17(26)13(10)6-12)9-20(18(27)23-19(28)24-20)15-4-11-5-16(21)22-7-14(11)30-15/h2-7H,8-9H2,1H3,(H2,23,24,27,28)/t20-/m0/s1
InChIKeyNHWUTRGXYPAMCM-FQEVSTJZSA-N
MW410.36 g/mol
LogP1.67
Rot. Bonds4

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

(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053157) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID58053157
Molecular FormulaC20H15FN4O5
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ncc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H15FN4O5/c1-29-12-3-2-10-8-25(17(26)13(10)6-12)9-20(18(27)23-19(28)24-20)15-4-11-5-16(21)22-7-14(11)30-15/h2-7H,8-9H2,1H3,(H2,23,24,27,28)/t20-/m0/s1
InChIKeyNHWUTRGXYPAMCM-FQEVSTJZSA-N
XLogP1.67
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053157) is (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(F)ncc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is NHWUTRGXYPAMCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15FN4O5/c1-29-12-3-2-10-8-25(17(26)13(10)6-12)9-20(18(27)23-19(28)24-20)15-4-11-5-16(21)22-7-14(11)30-15/h2-7H,8-9H2,1H3,(H2,23,24,27,28)/t20-/m0/s1.
What are the key properties of (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 410.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-fluorofuro[2,3-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).