1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone

C59H62N8O4 — CID 167657647

About 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone

1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone (PubChem CID 167657647) has the molecular formula C59H62N8O4 and a molecular weight of 947.20 g/mol. Its IUPAC name is 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

• Compound Name: 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone
• PubChem CID: 167657647
• Molecular Formula: C59H62N8O4
• Molecular Weight: 947.20 g/mol
• Exact Mass: 946.49
• IUPAC Name: 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone
• SMILES: Cn1ccc2c1Cc1ccccc1N(C(=O)C1CCCN1)C2.Cn1ccc2c1Cc1ccccc1N(C(=O)C1CCOCC1)C2.Cn1ccc2c1Cc1ccccc1N(C(=O)c1ccc3[nH]ccc3c1)C2
• InChI: InChI=1S/C22H19N3O.C19H22N2O2.C18H21N3O/c1-24-11-9-18-14-25(20-5-3-2-4-16(20)13-21(18)24)22(26)17-6-7-19-15(12-17)8-10-23-19;1-20-9-6-16-13-21(19(22)14-7-10-23-11-8-14)17-5-3-2-4-15(17)12-18(16)20;1-20-10-8-14-12-21(18(22)15-6-4-9-19-15)16-7-3-2-5-13(16)11-17(14)20/h2-12,23H,13-14H2,1H3;2-6,9,14H,7-8,10-13H2,1H3;2-3,5,7-8,10,15,19H,4,6,9,11-12H2,1H3
• InChIKey: RMOAFSDOJPHMOE-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.20
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone?

The IUPAC name of 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone (CID 167657647) is 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone.

What is the SMILES notation for 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone?

The canonical SMILES for 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone is Cn1ccc2c1Cc1ccccc1N(C(=O)C1CCCN1)C2.Cn1ccc2c1Cc1ccccc1N(C(=O)C1CCOCC1)C2.Cn1ccc2c1Cc1ccccc1N(C(=O)c1ccc3[nH]ccc3c1)C2.

What is the InChIKey of 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone?

The InChIKey is RMOAFSDOJPHMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.C19H22N2O2.C18H21N3O/c1-24-11-9-18-14-25(20-5-3-2-4-16(20)13-21(18)24)22(26)17-6-7-19-15(12-17)8-10-23-19;1-20-9-6-16-13-21(19(22)14-7-10-23-11-8-14)17-5-3-2-4-15(17)12-18(16)20;1-20-10-8-14-12-21(18(22)15-6-4-9-19-15)16-7-3-2-5-13(16)11-17(14)20/h2-12,23H,13-14H2,1H3;2-6,9,14H,7-8,10-13H2,1H3;2-3,5,7-8,10,15,19H,4,6,9,11-12H2,1H3.

What are the key properties of 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone?

1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 947.20 g/mol, XLogP of 9.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-5-yl-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-(oxan-4-yl)methanone;(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 167657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).