7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide

C37H32N6O5 — CID 70822854

About 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide

7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide (PubChem CID 70822854) has the molecular formula C37H32N6O5 and a molecular weight of 640.70 g/mol. Its IUPAC name is 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 70822854
• Molecular Formula: C37H32N6O5
• Molecular Weight: 640.70 g/mol
• Exact Mass: 640.24
• IUPAC Name: 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)CC(N)C(=O)Nc1cccc2cc(C(=O)Nc3ccc4oc(C(=O)N5CCc6c5cc(O)c5ccc(C#N)cc65)cc4c3)[nH]c12
• InChI: InChI=1S/C37H32N6O5/c1-19(2)12-27(39)35(45)42-28-5-3-4-21-15-29(41-34(21)28)36(46)40-23-7-9-32-22(14-23)16-33(48-32)37(47)43-11-10-24-26-13-20(18-38)6-8-25(26)31(44)17-30(24)43/h3-9,13-17,19,27,41,44H,10-12,39H2,1-2H3,(H,40,46)(H,42,45)
• InChIKey: AQFIVBRPAHRCMZ-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 177.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.70
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide (CID 70822854) is 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide is CC(C)CC(N)C(=O)Nc1cccc2cc(C(=O)Nc3ccc4oc(C(=O)N5CCc6c5cc(O)c5ccc(C#N)cc65)cc4c3)[nH]c12.

What is the InChIKey of 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide?

The InChIKey is AQFIVBRPAHRCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N6O5/c1-19(2)12-27(39)35(45)42-28-5-3-4-21-15-29(41-34(21)28)36(46)40-23-7-9-32-22(14-23)16-33(48-32)37(47)43-11-10-24-26-13-20(18-38)6-8-25(26)31(44)17-30(24)43/h3-9,13-17,19,27,41,44H,10-12,39H2,1-2H3,(H,40,46)(H,42,45).

What are the key properties of 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide?

7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide has a molecular weight of 640.70 g/mol, XLogP of 6.41, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-amino-4-methylpentanoyl)amino]-N-[2-(8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl)-1-benzofuran-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70822854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).