(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione

C23H22N4O5 — CID 58521447

IUPAC(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C(C)C)C1=O)C2
InChIInChI=1S/C23H22N4O5/c1-13(2)27-21(29)23(25-22(27)30,19-10-17-18(32-19)5-4-8-24-17)12-26-11-14-6-7-15(31-3)9-16(14)20(26)28/h4-10,13H,11-12H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyCAMJCHQEROUEAD-QHCPKHFHSA-N
MW434.45 g/mol
LogP2.65
Rot. Bonds5

About (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione

(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 58521447) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID58521447
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C(C)C)C1=O)C2
InChIInChI=1S/C23H22N4O5/c1-13(2)27-21(29)23(25-22(27)30,19-10-17-18(32-19)5-4-8-24-17)12-26-11-14-6-7-15(31-3)9-16(14)20(26)28/h4-10,13H,11-12H2,1-3H3,(H,25,30)/t23-/m0/s1
InChIKeyCAMJCHQEROUEAD-QHCPKHFHSA-N
XLogP2.65
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione (CID 58521447) is (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)N(C(C)C)C1=O)C2.
What is the InChIKey of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is CAMJCHQEROUEAD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-13(2)27-21(29)23(25-22(27)30,19-10-17-18(32-19)5-4-8-24-17)12-26-11-14-6-7-15(31-3)9-16(14)20(26)28/h4-10,13H,11-12H2,1-3H3,(H,25,30)/t23-/m0/s1.
What are the key properties of (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione?
(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 434.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-furo[3,2-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 58521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).