(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate

C81H74FN11O6 — CID 162070934

About (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate

(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate (PubChem CID 162070934) has the molecular formula C81H74FN11O6 and a molecular weight of 1316.55 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate.

Molecular Properties

• Compound Name: (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate
• PubChem CID: 162070934
• Molecular Formula: C81H74FN11O6
• Molecular Weight: 1316.55 g/mol
• Exact Mass: 1315.58
• IUPAC Name: (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate
• SMILES: COC(=O)c1ccc(C(=O)N2Cc3ccn(C)c3Cc3ccccc32)cc1.Cc1ccc(C(=O)N2Cc3cnn(C)c3Cc3ccccc32)cc1.Cc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1.Cn1ccc2c1Cc1ccccc1N(C(=O)c1ccccc1F)C2
• InChI: InChI=1S/C22H20N2O3.C20H17FN2O.C20H19N3O.C19H18N4O/c1-23-12-11-18-14-24(19-6-4-3-5-17(19)13-20(18)23)21(25)15-7-9-16(10-8-15)22(26)27-2;1-22-11-10-15-13-23(20(24)16-7-3-4-8-17(16)21)18-9-5-2-6-14(18)12-19(15)22;1-14-7-9-15(10-8-14)20(24)23-13-17-12-21-22(2)19(17)11-16-5-3-4-6-18(16)23;1-13-7-9-14(10-8-13)19(24)23-12-15-11-20-22(2)18(15)21-16-5-3-4-6-17(16)23/h3-12H,13-14H2,1-2H3;2-11H,12-13H2,1H3;3-10,12H,11,13H2,1-2H3;3-11,21H,12H2,1-2H3
• InChIKey: ZBBLUZPKWUCHGG-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 165.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1316.55
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate?

The IUPAC name of (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate (CID 162070934) is (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate.

What is the SMILES notation for (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate?

The canonical SMILES for (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate is COC(=O)c1ccc(C(=O)N2Cc3ccn(C)c3Cc3ccccc32)cc1.Cc1ccc(C(=O)N2Cc3cnn(C)c3Cc3ccccc32)cc1.Cc1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)cc1.Cn1ccc2c1Cc1ccccc1N(C(=O)c1ccccc1F)C2.

What is the InChIKey of (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate?

The InChIKey is ZBBLUZPKWUCHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.C20H17FN2O.C20H19N3O.C19H18N4O/c1-23-12-11-18-14-24(19-6-4-3-5-17(19)13-20(18)23)21(25)15-7-9-16(10-8-15)22(26)27-2;1-22-11-10-15-13-23(20(24)16-7-3-4-8-17(16)21)18-9-5-2-6-14(18)12-19(15)22;1-14-7-9-15(10-8-14)20(24)23-13-17-12-21-22(2)19(17)11-16-5-3-4-6-18(16)23;1-13-7-9-14(10-8-13)19(24)23-12-15-11-20-22(2)18(15)21-16-5-3-4-6-17(16)23/h3-12H,13-14H2,1-2H3;2-11H,12-13H2,1H3;3-10,12H,11,13H2,1-2H3;3-11,21H,12H2,1-2H3.

What are the key properties of (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate?

(2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate has a molecular weight of 1316.55 g/mol, XLogP of 14.59, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2-fluorophenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1]benzazepin-5-yl)-(4-methylphenyl)methanone;(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)-(4-methylphenyl)methanone;methyl 4-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepine-5-carbonyl)benzoate is sourced from PubChem (CID 162070934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).