1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one

C158H162FN21O15 — CID 158191528

IUPAC1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
SMILESCCC(=O)N1CCN(C)c2ccc(-c3ccccc3C)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(F)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3ccc4[nH]ccc4c3)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4c3cnn4C)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4cn[nH]c34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cncc4ccccc34)cc2C1
InChIInChI=1S/C21H20N2O2.2C20H21N3O2.C20H20N2O2.C20H24N2O.C19H18FN3O2.2C19H19N3O2/c1-2-21(24)23-9-10-25-20-8-7-15(11-17(20)14-23)19-13-22-12-16-5-3-4-6-18(16)19;1-3-19(24)23-8-9-25-18-7-5-14(10-15(18)12-23)20-13(2)4-6-17-16(20)11-21-22-17;1-3-20(24)23-9-10-25-19-8-7-14(11-15(19)13-23)16-5-4-6-18-17(16)12-21-22(18)2;1-2-20(23)22-9-10-24-19-6-4-15(12-17(19)13-22)14-3-5-18-16(11-14)7-8-21-18;1-4-20(23)22-12-11-21(3)19-10-9-16(13-17(19)14-22)18-8-6-5-7-15(18)2;1-2-18(24)23-7-8-25-17-6-3-12(9-13(17)11-23)19-14-10-21-22-16(14)5-4-15(19)20;1-2-19(23)22-8-9-24-18-7-6-13(10-14(18)12-22)15-4-3-5-17-16(15)11-20-21-17;1-2-18(23)22-8-9-24-17-7-6-13(10-15(17)12-22)16-5-3-4-14-11-20-21-19(14)16/h3-8,11-13H,2,9-10,14H2,1H3;4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22);4-8,11-12H,3,9-10,13H2,1-2H3;3-8,11-12,21H,2,9-10,13H2,1H3;5-10,13H,4,11-12,14H2,1-3H3;3-6,9-10H,2,7-8,11H2,1H3,(H,21,22);2*3-7,10-11H,2,8-9,12H2,1H3,(H,20,21)
InChIKeyFZUVHUFUZHPGAJ-UHFFFAOYSA-N
MW2614.16 g/mol
LogP29.11
Rot. Bonds16

About 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one

1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one (PubChem CID 158191528) has the molecular formula C158H162FN21O15 and a molecular weight of 2614.16 g/mol. Its IUPAC name is 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
PubChem CID158191528
Molecular FormulaC158H162FN21O15
Molecular Weight2614.16 g/mol
Exact Mass2612.25
IUPAC Name1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one
SMILESCCC(=O)N1CCN(C)c2ccc(-c3ccccc3C)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(F)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3ccc4[nH]ccc4c3)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4c3cnn4C)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4cn[nH]c34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cncc4ccccc34)cc2C1
InChIInChI=1S/C21H20N2O2.2C20H21N3O2.C20H20N2O2.C20H24N2O.C19H18FN3O2.2C19H19N3O2/c1-2-21(24)23-9-10-25-20-8-7-15(11-17(20)14-23)19-13-22-12-16-5-3-4-6-18(16)19;1-3-19(24)23-8-9-25-18-7-5-14(10-15(18)12-23)20-13(2)4-6-17-16(20)11-21-22-17;1-3-20(24)23-9-10-25-19-8-7-14(11-15(19)13-23)16-5-4-6-18-17(16)12-21-22(18)2;1-2-20(23)22-9-10-24-19-6-4-15(12-17(19)13-22)14-3-5-18-16(11-14)7-8-21-18;1-4-20(23)22-12-11-21(3)19-10-9-16(13-17(19)14-22)18-8-6-5-7-15(18)2;1-2-18(24)23-7-8-25-17-6-3-12(9-13(17)11-23)19-14-10-21-22-16(14)5-4-15(19)20;1-2-19(23)22-8-9-24-18-7-6-13(10-14(18)12-22)15-4-3-5-17-16(15)11-20-21-17;1-2-18(23)22-8-9-24-17-7-6-13(10-15(17)12-22)16-5-3-4-14-11-20-21-19(14)16/h3-8,11-13H,2,9-10,14H2,1H3;4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22);4-8,11-12H,3,9-10,13H2,1-2H3;3-8,11-12,21H,2,9-10,13H2,1H3;5-10,13H,4,11-12,14H2,1-3H3;3-6,9-10H,2,7-8,11H2,1H3,(H,21,22);2*3-7,10-11H,2,8-9,12H2,1H3,(H,20,21)
InChIKeyFZUVHUFUZHPGAJ-UHFFFAOYSA-N
XLogP29.11
TPSA391.55 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002614.16
LogP ≤ 529.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[1-[4-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]butyl-methylamino]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088519
N-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137088520
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
CID 137088872
2-[3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine
CID 137115264
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137115271
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137115305
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137115315
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115323
2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 137115456
2-(dimethylamino)-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137115520
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137115545
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115556

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one?
The IUPAC name of 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one (CID 158191528) is 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one.
What is the SMILES notation for 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one?
The canonical SMILES for 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one is CCC(=O)N1CCN(C)c2ccc(-c3ccccc3C)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3c(F)ccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3ccc4[nH]ccc4c3)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4[nH]ncc34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4c3cnn4C)cc2C1.CCC(=O)N1CCOc2ccc(-c3cccc4cn[nH]c34)cc2C1.CCC(=O)N1CCOc2ccc(-c3cncc4ccccc34)cc2C1.
What is the InChIKey of 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one?
The InChIKey is FZUVHUFUZHPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.2C20H21N3O2.C20H20N2O2.C20H24N2O.C19H18FN3O2.2C19H19N3O2/c1-2-21(24)23-9-10-25-20-8-7-15(11-17(20)14-23)19-13-22-12-16-5-3-4-6-18(16)19;1-3-19(24)23-8-9-25-18-7-5-14(10-15(18)12-23)20-13(2)4-6-17-16(20)11-21-22-17;1-3-20(24)23-9-10-25-19-8-7-14(11-15(19)13-23)16-5-4-6-18-17(16)12-21-22(18)2;1-2-20(23)22-9-10-24-19-6-4-15(12-17(19)13-22)14-3-5-18-16(11-14)7-8-21-18;1-4-20(23)22-12-11-21(3)19-10-9-16(13-17(19)14-22)18-8-6-5-7-15(18)2;1-2-18(24)23-7-8-25-17-6-3-12(9-13(17)11-23)19-14-10-21-22-16(14)5-4-15(19)20;1-2-19(23)22-8-9-24-18-7-6-13(10-14(18)12-22)15-4-3-5-17-16(15)11-20-21-17;1-2-18(23)22-8-9-24-17-7-6-13(10-15(17)12-22)16-5-3-4-14-11-20-21-19(14)16/h3-8,11-13H,2,9-10,14H2,1H3;4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22);4-8,11-12H,3,9-10,13H2,1-2H3;3-8,11-12,21H,2,9-10,13H2,1H3;5-10,13H,4,11-12,14H2,1-3H3;3-6,9-10H,2,7-8,11H2,1H3,(H,21,22);2*3-7,10-11H,2,8-9,12H2,1H3,(H,20,21).
What are the key properties of 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one?
1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one has a molecular weight of 2614.16 g/mol, XLogP of 29.11, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-fluoro-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indazol-7-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(1H-indol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-(7-isoquinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one;1-[7-(1-methylindazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[7-(5-methyl-1H-indazol-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one;1-[1-methyl-7-(2-methylphenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]propan-1-one is sourced from PubChem (CID 158191528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).