4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide

C115H149Cl5F5N15O11 — CID 157457606

IUPAC4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide
SMILESCC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC[C@](O)(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)C1.CN1C(=O)CC[C@@H]1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CN1CCOC(Cn2cc(C(=O)NCC3CCC(C)(F)CC3)c3c(Cl)cccc32)C1.CN1CCOCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21
InChIInChI=1S/C23H29ClFN3O3.2C23H31ClFN3O2.2C23H29ClFN3O2/c1-22(25)8-4-9-23(31,14-22)15-26-21(30)16-13-28(12-11-27-10-3-7-19(27)29)18-6-2-5-17(24)20(16)18;1-23(25)8-6-16(7-9-23)12-26-22(29)18-14-28(13-17-15-30-11-10-27(17)2)20-5-3-4-19(24)21(18)20;1-23(25)8-6-16(7-9-23)12-26-22(29)18-15-28(14-17-13-27(2)10-11-30-17)20-5-3-4-19(24)21(18)20;1-23(25)10-8-15(9-11-23)12-26-22(30)17-14-28(13-16-6-7-20(29)27(16)2)19-5-3-4-18(24)21(17)19;1-23(25)9-7-16(8-10-23)13-26-22(30)17-14-28(15-20(29)27-11-2-3-12-27)19-6-4-5-18(24)21(17)19/h2,5-6,13,31H,3-4,7-12,14-15H2,1H3,(H,26,30);3-5,14,16-17H,6-13,15H2,1-2H3,(H,26,29);3-5,15-17H,6-14H2,1-2H3,(H,26,29);3-5,14-16H,6-13H2,1-2H3,(H,26,30);4-6,14,16H,2-3,7-13,15H2,1H3,(H,26,30)/t22?,23-;;;15?,16-,23?;/m1..1./s1
InChIKeyBTNWFWGGLKVAIR-DPDHXLKKSA-N
MW2189.81 g/mol
LogP21.36
Rot. Bonds26

About 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide

4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide (PubChem CID 157457606) has the molecular formula C115H149Cl5F5N15O11 and a molecular weight of 2189.81 g/mol. Its IUPAC name is 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide
PubChem CID157457606
Molecular FormulaC115H149Cl5F5N15O11
Molecular Weight2189.81 g/mol
Exact Mass2185.99
IUPAC Name4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide
SMILESCC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC[C@](O)(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)C1.CN1C(=O)CC[C@@H]1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CN1CCOC(Cn2cc(C(=O)NCC3CCC(C)(F)CC3)c3c(Cl)cccc32)C1.CN1CCOCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21
InChIInChI=1S/C23H29ClFN3O3.2C23H31ClFN3O2.2C23H29ClFN3O2/c1-22(25)8-4-9-23(31,14-22)15-26-21(30)16-13-28(12-11-27-10-3-7-19(27)29)18-6-2-5-17(24)20(16)18;1-23(25)8-6-16(7-9-23)12-26-22(29)18-14-28(13-17-15-30-11-10-27(17)2)20-5-3-4-19(24)21(18)20;1-23(25)8-6-16(7-9-23)12-26-22(29)18-15-28(14-17-13-27(2)10-11-30-17)20-5-3-4-19(24)21(18)20;1-23(25)10-8-15(9-11-23)12-26-22(30)17-14-28(13-16-6-7-20(29)27(16)2)19-5-3-4-18(24)21(17)19;1-23(25)9-7-16(8-10-23)13-26-22(30)17-14-28(15-20(29)27-11-2-3-12-27)19-6-4-5-18(24)21(17)19/h2,5-6,13,31H,3-4,7-12,14-15H2,1H3,(H,26,30);3-5,14,16-17H,6-13,15H2,1-2H3,(H,26,29);3-5,15-17H,6-14H2,1-2H3,(H,26,29);3-5,14-16H,6-13H2,1-2H3,(H,26,30);4-6,14,16H,2-3,7-13,15H2,1H3,(H,26,30)/t22?,23-;;;15?,16-,23?;/m1..1./s1
InChIKeyBTNWFWGGLKVAIR-DPDHXLKKSA-N
XLogP21.36
TPSA276.25 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002189.81
LogP ≤ 521.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide 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
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
tert-butyl (2S)-2-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;1-(4-chloro-1H-indol-3-yl)-3-(4,4-difluorocyclohexyl)propan-1-one;1-[4-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
CID 158325679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide (CID 157457606) is 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide is CC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC[C@](O)(CNC(=O)c2cn(CCN3CCCC3=O)c3cccc(Cl)c23)C1.CN1C(=O)CC[C@@H]1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CN1CCOC(Cn2cc(C(=O)NCC3CCC(C)(F)CC3)c3c(Cl)cccc32)C1.CN1CCOCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
The InChIKey is BTNWFWGGLKVAIR-DPDHXLKKSA-N. The full InChI is InChI=1S/C23H29ClFN3O3.2C23H31ClFN3O2.2C23H29ClFN3O2/c1-22(25)8-4-9-23(31,14-22)15-26-21(30)16-13-28(12-11-27-10-3-7-19(27)29)18-6-2-5-17(24)20(16)18;1-23(25)8-6-16(7-9-23)12-26-22(29)18-14-28(13-17-15-30-11-10-27(17)2)20-5-3-4-19(24)21(18)20;1-23(25)8-6-16(7-9-23)12-26-22(29)18-15-28(14-17-13-27(2)10-11-30-17)20-5-3-4-19(24)21(18)20;1-23(25)10-8-15(9-11-23)12-26-22(30)17-14-28(13-16-6-7-20(29)27(16)2)19-5-3-4-18(24)21(17)19;1-23(25)9-7-16(8-10-23)13-26-22(30)17-14-28(15-20(29)27-11-2-3-12-27)19-6-4-5-18(24)21(17)19/h2,5-6,13,31H,3-4,7-12,14-15H2,1H3,(H,26,30);3-5,14,16-17H,6-13,15H2,1-2H3,(H,26,29);3-5,15-17H,6-14H2,1-2H3,(H,26,29);3-5,14-16H,6-13H2,1-2H3,(H,26,30);4-6,14,16H,2-3,7-13,15H2,1H3,(H,26,30)/t22?,23-;;;15?,16-,23?;/m1..1./s1.
What are the key properties of 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide?
4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide has a molecular weight of 2189.81 g/mol, XLogP of 21.36, 26 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(1R)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-[2-(2-oxopyrrolidin-1-yl)ethyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(4-methylmorpholin-3-yl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[[(2R)-1-methyl-5-oxopyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 157457606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).