[(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C62H60N10O12 — CID 157237500

About [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

[(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 157237500) has the molecular formula C62H60N10O12 and a molecular weight of 1137.22 g/mol. Its IUPAC name is [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 157237500
• Molecular Formula: C62H60N10O12
• Molecular Weight: 1137.22 g/mol
• Exact Mass: 1136.44
• IUPAC Name: [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(CNCc5ccccc5)cc4o3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(CNCc5ccccc5)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C34H35N5O7.C28H25N5O5/c1-33(2,3)31(42)45-20-39-30(41)34(37-32(39)43,19-38-18-23-10-11-24(44-4)13-25(23)29(38)40)28-14-26-27(46-28)12-22(17-36-26)16-35-15-21-8-6-5-7-9-21;1-37-20-8-7-19-15-33(25(34)21(19)10-20)16-28(26(35)31-27(36)32-28)24-11-22-23(38-24)9-18(14-30-22)13-29-12-17-5-3-2-4-6-17/h5-14,17,35H,15-16,18-20H2,1-4H3,(H,37,43);2-11,14,29H,12-13,15-16H2,1H3,(H2,31,32,35,36)/t34-;28-/m00/s1
• InChIKey: AUUUELZLRSHBMM-QEJLLGAPSA-N
• XLogP: 6.89
• TPSA: 269.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.22
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 157237500) is [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(CNCc5ccccc5)cc4o3)NC(=O)N(COC(=O)C(C)(C)C)C1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(CNCc5ccccc5)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is AUUUELZLRSHBMM-QEJLLGAPSA-N. The full InChI is InChI=1S/C34H35N5O7.C28H25N5O5/c1-33(2,3)31(42)45-20-39-30(41)34(37-32(39)43,19-38-18-23-10-11-24(44-4)13-25(23)29(38)40)28-14-26-27(46-28)12-22(17-36-26)16-35-15-21-8-6-5-7-9-21;1-37-20-8-7-19-15-33(25(34)21(19)10-20)16-28(26(35)31-27(36)32-28)24-11-22-23(38-24)9-18(14-30-22)13-29-12-17-5-3-2-4-6-17/h5-14,17,35H,15-16,18-20H2,1-4H3,(H,37,43);2-11,14,29H,12-13,15-16H2,1H3,(H2,31,32,35,36)/t34-;28-/m00/s1.

What are the key properties of [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

[(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 1137.22 g/mol, XLogP of 6.89, 18 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl 2,2-dimethylpropanoate;(5S)-5-[6-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157237500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).