4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one

C111H141Cl5F4N8O12 — CID 158767782

IUPAC4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
SMILESCC(F)(F)C1CCCC(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1.CC1(F)CCC(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(O)(CCC(=O)c2cn(CC3CCO3)c3cccc(Cl)c23)CC1.CN(C)C(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCCC1.C[C@@H]1CCC[C@](O)(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C23H32ClN3O2.C22H27ClF2N2O2.C22H27ClFNO3.C22H27ClFNO2.C22H28ClNO3/c1-26(2)21(16-7-4-3-5-8-16)13-25-23(28)18-14-27(17-11-12-29-15-17)20-10-6-9-19(24)22(18)20;1-22(24,25)15-5-2-4-14(10-15)11-26-21(28)17-12-27(16-8-9-29-13-16)19-7-3-6-18(23)20(17)19;1-21(24)8-10-22(27,11-9-21)7-5-19(26)16-14-25(13-15-6-12-28-15)18-4-2-3-17(23)20(16)18;1-22(24)10-7-15(8-11-22)5-6-20(26)17-13-25(16-9-12-27-14-16)19-4-2-3-18(23)21(17)19;1-15-4-3-9-22(26,12-15)10-7-20(25)17-13-24(16-8-11-27-14-16)19-6-2-5-18(23)21(17)19/h6,9-10,14,16-17,21H,3-5,7-8,11-13,15H2,1-2H3,(H,25,28);3,6-7,12,14-16H,2,4-5,8-11,13H2,1H3,(H,26,28);2-4,14-15,27H,5-13H2,1H3;2-4,13,15-16H,5-12,14H2,1H3;2,5-6,13,15-16,26H,3-4,7-12,14H2,1H3/t;;;;15-,16?,22+/m....1/s1
InChIKeyIPLZPQSCRWHGLD-ZOQAAVQPSA-N
MW2032.65 g/mol
LogP26.32
Rot. Bonds27

About 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one

4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one (PubChem CID 158767782) has the molecular formula C111H141Cl5F4N8O12 and a molecular weight of 2032.65 g/mol. Its IUPAC name is 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one.

Molecular Properties

Compound Name4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
PubChem CID158767782
Molecular FormulaC111H141Cl5F4N8O12
Molecular Weight2032.65 g/mol
Exact Mass2028.90
IUPAC Name4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
SMILESCC(F)(F)C1CCCC(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1.CC1(F)CCC(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(O)(CCC(=O)c2cn(CC3CCO3)c3cccc(Cl)c23)CC1.CN(C)C(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCCC1.C[C@@H]1CCC[C@](O)(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C23H32ClN3O2.C22H27ClF2N2O2.C22H27ClFNO3.C22H27ClFNO2.C22H28ClNO3/c1-26(2)21(16-7-4-3-5-8-16)13-25-23(28)18-14-27(17-11-12-29-15-17)20-10-6-9-19(24)22(18)20;1-22(24,25)15-5-2-4-14(10-15)11-26-21(28)17-12-27(16-8-9-29-13-16)19-7-3-6-18(23)20(17)19;1-21(24)8-10-22(27,11-9-21)7-5-19(26)16-14-25(13-15-6-12-28-15)18-4-2-3-17(23)20(16)18;1-22(24)10-7-15(8-11-22)5-6-20(26)17-13-25(16-9-12-27-14-16)19-4-2-3-18(23)21(17)19;1-15-4-3-9-22(26,12-15)10-7-20(25)17-13-24(16-8-11-27-14-16)19-6-2-5-18(23)21(17)19/h6,9-10,14,16-17,21H,3-5,7-8,11-13,15H2,1-2H3,(H,25,28);3,6-7,12,14-16H,2,4-5,8-11,13H2,1H3,(H,26,28);2-4,14-15,27H,5-13H2,1H3;2-4,13,15-16H,5-12,14H2,1H3;2,5-6,13,15-16,26H,3-4,7-12,14H2,1H3/t;;;;15-,16?,22+/m....1/s1
InChIKeyIPLZPQSCRWHGLD-ZOQAAVQPSA-N
XLogP26.32
TPSA223.91 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.65
LogP ≤ 526.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one with MolForge

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Related Compounds

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
CID 157081558
tert-butyl 3-[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]pyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-(4-chloro-1-pyrrolidin-3-ylindol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one
CID 157229381
1-[1-(azetidin-3-yl)-4-chloroindol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;tert-butyl 3-[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[4-chloro-3-(2,2,2-trifluoroacetyl)indol-1-yl]azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;4-chloro-1H-indole;1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;4-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indole-3-carboxylic acid;(4,4-difluorocyclohexyl)methanamine
CID 157241145
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one
CID 157287360
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxolan-2-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)-1-hydroxycyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-cyclohexylpropan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-2-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one
CID 157496769
tert-butyl 2-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]pyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-(pyrrolidin-2-ylmethyl)indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;cyclopentylmethanol
CID 157562869
4-chloro-1-(3,3-difluoropropyl)-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(3,3,3-trifluoropropyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(3,3,3-trifluoropropyl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one
CID 157803223
(5R)-5-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]-1-methylpyrrolidin-2-one;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;(5R)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;methyl (2R)-1-methyl-5-oxopyrrolidine-2-carboxylate;methyl (1S)-3-oxocyclopentane-1-carboxylate;(1S)-3-oxocyclopentane-1-carboxylic acid
CID 157883242
1-O-tert-butyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate;1-[4-chloro-1-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 157899591
4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]indole-3-carboxamide;1-[4-chloro-1-[[(2S)-oxolan-2-yl]methyl]indol-3-yl]-3-[(1R)-3,3-difluoro-1-hydroxycyclohexyl]propan-1-one;1-[4-chloro-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[4-chloro-1-[[(2S)-oxolan-2-yl]methyl]indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one
CID 158234743
1-[1-[[(2S)-1-acetylazetidin-2-yl]methyl]-4-chloroindol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;4-chloro-1-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(3-fluoro-1-hydroxy-3-methylcyclohexyl)methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 158290753
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4-chloro-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(3,3-difluorobutyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(2-fluoropropyl)-1-(oxetan-3-yl)indole-3-carboxamide;4-chloro-N-(oxan-3-ylmethyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 158298456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one?
The IUPAC name of 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one (CID 158767782) is 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one.
What is the SMILES notation for 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one?
The canonical SMILES for 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one is CC(F)(F)C1CCCC(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1.CC1(F)CCC(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(O)(CCC(=O)c2cn(CC3CCO3)c3cccc(Cl)c23)CC1.CN(C)C(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCCC1.C[C@@H]1CCC[C@](O)(CCC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1.
What is the InChIKey of 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one?
The InChIKey is IPLZPQSCRWHGLD-ZOQAAVQPSA-N. The full InChI is InChI=1S/C23H32ClN3O2.C22H27ClF2N2O2.C22H27ClFNO3.C22H27ClFNO2.C22H28ClNO3/c1-26(2)21(16-7-4-3-5-8-16)13-25-23(28)18-14-27(17-11-12-29-15-17)20-10-6-9-19(24)22(18)20;1-22(24,25)15-5-2-4-14(10-15)11-26-21(28)17-12-27(16-8-9-29-13-16)19-7-3-6-18(23)20(17)19;1-21(24)8-10-22(27,11-9-21)7-5-19(26)16-14-25(13-15-6-12-28-15)18-4-2-3-17(23)20(16)18;1-22(24)10-7-15(8-11-22)5-6-20(26)17-13-25(16-9-12-27-14-16)19-4-2-3-18(23)21(17)19;1-15-4-3-9-22(26,12-15)10-7-20(25)17-13-24(16-8-11-27-14-16)19-6-2-5-18(23)21(17)19/h6,9-10,14,16-17,21H,3-5,7-8,11-13,15H2,1-2H3,(H,25,28);3,6-7,12,14-16H,2,4-5,8-11,13H2,1H3,(H,26,28);2-4,14-15,27H,5-13H2,1H3;2-4,13,15-16H,5-12,14H2,1H3;2,5-6,13,15-16,26H,3-4,7-12,14H2,1H3/t;;;;15-,16?,22+/m....1/s1.
What are the key properties of 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one?
4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one has a molecular weight of 2032.65 g/mol, XLogP of 26.32, 27 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[[3-(1,1-difluoroethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)indole-3-carboxamide;1-[4-chloro-1-(oxetan-2-ylmethyl)indol-3-yl]-3-(4-fluoro-1-hydroxy-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;1-[4-chloro-1-(oxolan-3-yl)indol-3-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one is sourced from PubChem (CID 158767782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).