2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide

C22H19N5O6 — CID 58053165

IUPAC2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)oc2c1
InChIInChI=1S/C22H19N5O6/c1-23-18(28)12-5-16-15(24-8-12)7-17(33-16)22(20(30)25-21(31)26-22)10-27-9-11-3-4-13(32-2)6-14(11)19(27)29/h3-8H,9-10H2,1-2H3,(H,23,28)(H2,25,26,30,31)/t22-/m0/s1
InChIKeyMGGLMVASZJRRFV-QFIPXVFZSA-N
MW449.42 g/mol
LogP0.89
Rot. Bonds5

About 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide

2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide (PubChem CID 58053165) has the molecular formula C22H19N5O6 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide
PubChem CID58053165
Molecular FormulaC22H19N5O6
Molecular Weight449.42 g/mol
Exact Mass449.13
IUPAC Name2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide
SMILESCNC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)oc2c1
InChIInChI=1S/C22H19N5O6/c1-23-18(28)12-5-16-15(24-8-12)7-17(33-16)22(20(30)25-21(31)26-22)10-27-9-11-3-4-13(32-2)6-14(11)19(27)29/h3-8H,9-10H2,1-2H3,(H,23,28)(H2,25,26,30,31)/t22-/m0/s1
InChIKeyMGGLMVASZJRRFV-QFIPXVFZSA-N
XLogP0.89
TPSA142.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
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]-N-methylfuro[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide (CID 58053165) is 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide is CNC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)oc2c1.
What is the InChIKey of 2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide?
The InChIKey is MGGLMVASZJRRFV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19N5O6/c1-23-18(28)12-5-16-15(24-8-12)7-17(33-16)22(20(30)25-21(31)26-22)10-27-9-11-3-4-13(32-2)6-14(11)19(27)29/h3-8H,9-10H2,1-2H3,(H,23,28)(H2,25,26,30,31)/t22-/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]-N-methylfuro[3,2-b]pyridine-6-carboxamide?
2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylfuro[3,2-b]pyridine-6-carboxamide has a molecular weight of 449.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 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]-N-methylfuro[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 58053165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).