N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide

About N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide

N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide (PubChem CID 143990107) has the molecular formula C25H23N5O6 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide
PubChem CID	143990107
Molecular Formula	C25H23N5O6
Molecular Weight	489.49 g/mol
Exact Mass	489.16
IUPAC Name	N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide
SMILES	COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(o3)CC=C(C(=O)NC3CC3)C=N4)NC(=O)NC1=O)C2
InChI	InChI=1S/C25H23N5O6/c1-35-16-6-2-14-11-30(22(32)17(14)8-16)12-25(23(33)28-24(34)29-25)20-9-18-19(36-20)7-3-13(10-26-18)21(31)27-15-4-5-15/h2-3,6,8-10,15H,4-5,7,11-12H2,1H3,(H,27,31)(H2,28,29,33,34)/t25-/m0/s1
InChIKey	NZTVQBPAXPRUSY-VWLOTQADSA-N
XLogP	1.44
TPSA	142.34 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide?

The IUPAC name of N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide (CID 143990107) is N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(o3)CC=C(C(=O)NC3CC3)C=N4)NC(=O)NC1=O)C2.

What is the InChIKey of N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide?

The InChIKey is NZTVQBPAXPRUSY-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23N5O6/c1-35-16-6-2-14-11-30(22(32)17(14)8-16)12-25(23(33)28-24(34)29-25)20-9-18-19(36-20)7-3-13(10-26-18)21(31)27-15-4-5-15/h2-3,6,8-10,15H,4-5,7,11-12H2,1H3,(H,27,31)(H2,28,29,33,34)/t25-/m0/s1.

What are the key properties of N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide?

N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-8H-furo[3,2-b]azepine-6-carboxamide is sourced from PubChem (CID 143990107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).