2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile

C21H15N5O5 — CID 70235355

IUPAC2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H15N5O5/c1-30-12-3-2-11-9-26(18(27)13(11)6-12)10-21(19(28)24-20(29)25-21)17-7-14-15(8-22)23-5-4-16(14)31-17/h2-7H,9-10H2,1H3,(H2,24,25,28,29)/t21-/m0/s1
InChIKeyWPCMLFCVTWELNB-NRFANRHFSA-N
MW417.38 g/mol
LogP1.40
Rot. Bonds4

About 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile

2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile (PubChem CID 70235355) has the molecular formula C21H15N5O5 and a molecular weight of 417.38 g/mol. Its IUPAC name is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile
PubChem CID70235355
Molecular FormulaC21H15N5O5
Molecular Weight417.38 g/mol
Exact Mass417.11
IUPAC Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C21H15N5O5/c1-30-12-3-2-11-9-26(18(27)13(11)6-12)10-21(19(28)24-20(29)25-21)17-7-14-15(8-22)23-5-4-16(14)31-17/h2-7H,9-10H2,1H3,(H2,24,25,28,29)/t21-/m0/s1
InChIKeyWPCMLFCVTWELNB-NRFANRHFSA-N
XLogP1.40
TPSA137.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile?
The IUPAC name of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile (CID 70235355) is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C#N)nccc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile?
The InChIKey is WPCMLFCVTWELNB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H15N5O5/c1-30-12-3-2-11-9-26(18(27)13(11)6-12)10-21(19(28)24-20(29)25-21)17-7-14-15(8-22)23-5-4-16(14)31-17/h2-7H,9-10H2,1H3,(H2,24,25,28,29)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile?
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile has a molecular weight of 417.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carbonitrile is sourced from PubChem (CID 70235355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).