2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide

About 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide

2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide (PubChem CID 143990131) has the molecular formula C23H21N5O6 and a molecular weight of 463.45 g/mol. Its IUPAC name is 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name	2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide
PubChem CID	143990131
Molecular Formula	C23H21N5O6
Molecular Weight	463.45 g/mol
Exact Mass	463.15
IUPAC Name	2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide
SMILES	CNC(=O)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC4OC4NC3=O)cc2n1
InChI	InChI=1S/C23H21N5O6/c1-24-18(29)14-5-6-16-15(25-14)8-17(33-16)23(22(31)26-19-20(27-23)34-19)10-28-9-11-3-4-12(32-2)7-13(11)21(28)30/h3-8,19-20,27H,9-10H2,1-2H3,(H,24,29)(H,26,31)/t19?,20?,23-/m0/s1
InChIKey	IHONGARLLVTPJN-XPJNUEMQSA-N
XLogP	0.45
TPSA	138.33 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.45
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide?

The IUPAC name of 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide (CID 143990131) is 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide.

What is the SMILES notation for 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide?

The canonical SMILES for 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide is CNC(=O)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC4OC4NC3=O)cc2n1.

What is the InChIKey of 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide?

The InChIKey is IHONGARLLVTPJN-XPJNUEMQSA-N. The full InChI is InChI=1S/C23H21N5O6/c1-24-18(29)14-5-6-16-15(25-14)8-17(33-16)23(22(31)26-19-20(27-23)34-19)10-28-9-11-3-4-12(32-2)7-13(11)21(28)30/h3-8,19-20,27H,9-10H2,1-2H3,(H,24,29)(H,26,31)/t19?,20?,23-/m0/s1.

What are the key properties of 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide?

2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide has a molecular weight of 463.45 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-4-oxo-7-oxa-2,5-diazabicyclo[4.1.0]heptan-3-yl]-N-methylfuro[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 143990131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).