N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide

C52H52N8O10 — CID 161063362

About N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide

N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide (PubChem CID 161063362) has the molecular formula C52H52N8O10 and a molecular weight of 949.03 g/mol. Its IUPAC name is N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
• PubChem CID: 161063362
• Molecular Formula: C52H52N8O10
• Molecular Weight: 949.03 g/mol
• Exact Mass: 948.38
• IUPAC Name: N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
• SMILES: Cc1c(C(=O)N[C@@]23C(=O)c4c(N)cccc4[C@]2(O)Oc2cc([C@H](C)C4CC4)ccc23)[nH]c(=O)n1C.Cc1c(C(=O)N[C@]23C(=O)c4c(N)cccc4[C@@]2(O)Oc2cc([C@H](C)C4CC4)ccc23)[nH]c(=O)n1C
• InChI: InChI=1S/2C26H26N4O5/c2*1-12(14-7-8-14)15-9-10-16-19(11-15)35-26(34)17-5-4-6-18(27)20(17)22(31)25(16,26)29-23(32)21-13(2)30(3)24(33)28-21/h2*4-6,9-12,14,34H,7-8,27H2,1-3H3,(H,28,33)(H,29,32)/t12-,25+,26+;12-,25-,26-/m11/s1
• InChIKey: UDROAAGTGRIHAB-RZCRICMSSA-N
• XLogP: 4.35
• TPSA: 278.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.03
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?

The IUPAC name of N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide (CID 161063362) is N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide is Cc1c(C(=O)N[C@@]23C(=O)c4c(N)cccc4[C@]2(O)Oc2cc([C@H](C)C4CC4)ccc23)[nH]c(=O)n1C.Cc1c(C(=O)N[C@]23C(=O)c4c(N)cccc4[C@@]2(O)Oc2cc([C@H](C)C4CC4)ccc23)[nH]c(=O)n1C.

What is the InChIKey of N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?

The InChIKey is UDROAAGTGRIHAB-RZCRICMSSA-N. The full InChI is InChI=1S/2C26H26N4O5/c2*1-12(14-7-8-14)15-9-10-16-19(11-15)35-26(34)17-5-4-6-18(27)20(17)22(31)25(16,26)29-23(32)21-13(2)30(3)24(33)28-21/h2*4-6,9-12,14,34H,7-8,27H2,1-3H3,(H,28,33)(H,29,32)/t12-,25+,26+;12-,25-,26-/m11/s1.

What are the key properties of N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?

N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide has a molecular weight of 949.03 g/mol, XLogP of 4.35, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4bR,9bR)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide;N-[(4bS,9bS)-1-amino-7-[(1R)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide is sourced from PubChem (CID 161063362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).