13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane

C84H106N12O11S2 — CID 159892107

IUPAC13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2.COc1ccc2c(c1)C=C(c1c(C(=O)N3C4CCC3CN(C)C4)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21.COc1ccc2c(c1)C=C(c1c(C(=O)O)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21
InChIInChI=1S/C42H52N6O5S.C35H40N4O6S.C7H14N2/c1-25(2)47-24-43-38(42(50)48-31-13-14-32(48)23-45(5)22-31)39(47)30-18-29-19-33(53-6)15-17-34(29)40-37(27-10-8-7-9-11-27)35-16-12-28(20-36(35)46(40)21-30)41(49)44-54(51,52)26(3)4;1-20(2)39-19-36-31(35(41)42)32(39)25-15-24-16-26(45-5)12-14-27(24)33-30(22-9-7-6-8-10-22)28-13-11-23(17-29(28)38(33)18-25)34(40)37-46(43,44)21(3)4;1-9-4-6-2-3-7(5-9)8-6/h12,15-20,24-27,31-32H,7-11,13-14,21-23H2,1-6H3,(H,44,49);11-17,19-22H,6-10,18H2,1-5H3,(H,37,40)(H,41,42);6-8H,2-5H2,1H3
InChIKeyNUWPQKSBBJLRRQ-UHFFFAOYSA-N
MW1523.98 g/mol
LogP14.00
Rot. Bonds16

About 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane

13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 159892107) has the molecular formula C84H106N12O11S2 and a molecular weight of 1523.98 g/mol. Its IUPAC name is 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID159892107
Molecular FormulaC84H106N12O11S2
Molecular Weight1523.98 g/mol
Exact Mass1522.75
IUPAC Name13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2.COc1ccc2c(c1)C=C(c1c(C(=O)N3C4CCC3CN(C)C4)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21.COc1ccc2c(c1)C=C(c1c(C(=O)O)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21
InChIInChI=1S/C42H52N6O5S.C35H40N4O6S.C7H14N2/c1-25(2)47-24-43-38(42(50)48-31-13-14-32(48)23-45(5)22-31)39(47)30-18-29-19-33(53-6)15-17-34(29)40-37(27-10-8-7-9-11-27)35-16-12-28(20-36(35)46(40)21-30)41(49)44-54(51,52)26(3)4;1-20(2)39-19-36-31(35(41)42)32(39)25-15-24-16-26(45-5)12-14-27(24)33-30(22-9-7-6-8-10-22)28-13-11-23(17-29(28)38(33)18-25)34(40)37-46(43,44)21(3)4;1-9-4-6-2-3-7(5-9)8-6/h12,15-20,24-27,31-32H,7-11,13-14,21-23H2,1-6H3,(H,44,49);11-17,19-22H,6-10,18H2,1-5H3,(H,37,40)(H,41,42);6-8H,2-5H2,1H3
InChIKeyNUWPQKSBBJLRRQ-UHFFFAOYSA-N
XLogP14.00
TPSA266.56 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.98
LogP ≤ 514.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

13-cyclohexyl-6-[5-(6,6-difluoro-4-methyl-1,4-diazepane-1-carbonyl)-3-propan-2-yltriazol-4-yl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-yltriazole-4-carboxylic acid;6,6-difluoro-1,4-diazepane
CID 159359929
13-cyclohexyl-6-[5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-propan-2-ylimidazol-4-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46892916
13-cyclohexyl-3-methoxy-6-[5-(morpholine-4-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46892917
13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46893034
13-cyclohexyl-3-methoxy-N-propan-2-ylsulfonyl-6-[3-propan-2-yl-5-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]imidazol-4-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46893035
ethyl 5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methylimidazole-4-carboxylate
CID 57616014
13-cyclohexyl-6-[3-cyclopropyl-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]imidazol-4-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57948775
ethyl 1-cyclobutyl-5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]imidazole-4-carboxylate
CID 57948804
5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-cyclopropylimidazole-4-carboxylic acid
CID 57948805
5-[13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-3-propan-2-ylimidazole-4-carboxylic acid
CID 57948806
5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid
CID 57948817
1-cyclobutyl-5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]imidazole-4-carboxylic acid
CID 57948821

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 159892107) is 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CCC(C1)N2.COc1ccc2c(c1)C=C(c1c(C(=O)N3C4CCC3CN(C)C4)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21.COc1ccc2c(c1)C=C(c1c(C(=O)O)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21.
What is the InChIKey of 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is NUWPQKSBBJLRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N6O5S.C35H40N4O6S.C7H14N2/c1-25(2)47-24-43-38(42(50)48-31-13-14-32(48)23-45(5)22-31)39(47)30-18-29-19-33(53-6)15-17-34(29)40-37(27-10-8-7-9-11-27)35-16-12-28(20-36(35)46(40)21-30)41(49)44-54(51,52)26(3)4;1-20(2)39-19-36-31(35(41)42)32(39)25-15-24-16-26(45-5)12-14-27(24)33-30(22-9-7-6-8-10-22)28-13-11-23(17-29(28)38(33)18-25)34(40)37-46(43,44)21(3)4;1-9-4-6-2-3-7(5-9)8-6/h12,15-20,24-27,31-32H,7-11,13-14,21-23H2,1-6H3,(H,44,49);11-17,19-22H,6-10,18H2,1-5H3,(H,37,40)(H,41,42);6-8H,2-5H2,1H3.
What are the key properties of 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane?
13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 1523.98 g/mol, XLogP of 14.00, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-3-methoxy-6-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-3-propan-2-ylimidazol-4-yl]-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;5-[13-cyclohexyl-3-methoxy-10-(propan-2-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-propan-2-ylimidazole-4-carboxylic acid;3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 159892107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).