4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one

C117H151Cl3F11N11O8 — CID 159133304

IUPAC4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one
SMILESCC(C)N1CCCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CC1(F)CCC(CCC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC3CCCN3C3CC3)c3cccc(Cl)c23)CC1.COCCn1cc(C(=O)CCC2CCC(C)(F)CC2)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C25H33ClFN3O.C25H35ClFN3O.C24H31ClFN3O2.C22H27F4NO2.C21H25F4NO2/c1-25(27)11-9-17(10-12-25)14-28-24(31)20-16-29(22-6-2-5-21(26)23(20)22)15-19-4-3-13-30(19)18-7-8-18;1-17(2)30-13-5-6-19(30)15-29-16-20(23-21(26)7-4-8-22(23)29)24(31)28-14-18-9-11-25(3,27)12-10-18;1-24(26)10-8-17(9-11-24)14-27-23(31)18-15-29(20-7-5-6-19(25)22(18)20)16-21(30)28-12-3-2-4-13-28;1-21(23)10-8-15(9-11-21)6-7-19(28)16-14-27(12-13-29-2)18-5-3-4-17(20(16)18)22(24,25)26;1-20(22)9-7-14(8-10-20)5-6-18(28)15-13-26(11-12-27)17-4-2-3-16(19(15)17)21(23,24)25/h2,5-6,16-19H,3-4,7-15H2,1H3,(H,28,31);4,7-8,16-19H,5-6,9-15H2,1-3H3,(H,28,31);5-7,15,17H,2-4,8-14,16H2,1H3,(H,27,31);3-5,14-15H,6-13H2,1-2H3;2-4,13-14,27H,5-12H2,1H3
InChIKeyKHDYNAKOXGDRKM-UHFFFAOYSA-N
MW2154.90 g/mol
LogP28.06
Rot. Bonds30

About 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one

4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one (PubChem CID 159133304) has the molecular formula C117H151Cl3F11N11O8 and a molecular weight of 2154.90 g/mol. Its IUPAC name is 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one.

Molecular Properties

Compound Name4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one
PubChem CID159133304
Molecular FormulaC117H151Cl3F11N11O8
Molecular Weight2154.90 g/mol
Exact Mass2152.06
IUPAC Name4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one
SMILESCC(C)N1CCCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CC1(F)CCC(CCC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC3CCCN3C3CC3)c3cccc(Cl)c23)CC1.COCCn1cc(C(=O)CCC2CCC(C)(F)CC2)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C25H33ClFN3O.C25H35ClFN3O.C24H31ClFN3O2.C22H27F4NO2.C21H25F4NO2/c1-25(27)11-9-17(10-12-25)14-28-24(31)20-16-29(22-6-2-5-21(26)23(20)22)15-19-4-3-13-30(19)18-7-8-18;1-17(2)30-13-5-6-19(30)15-29-16-20(23-21(26)7-4-8-22(23)29)24(31)28-14-18-9-11-25(3,27)12-10-18;1-24(26)10-8-17(9-11-24)14-27-23(31)18-15-29(20-7-5-6-19(25)22(18)20)16-21(30)28-12-3-2-4-13-28;1-21(23)10-8-15(9-11-21)6-7-19(28)16-14-27(12-13-29-2)18-5-3-4-17(20(16)18)22(24,25)26;1-20(22)9-7-14(8-10-20)5-6-18(28)15-13-26(11-12-27)17-4-2-3-16(19(15)17)21(23,24)25/h2,5-6,16-19H,3-4,7-15H2,1H3,(H,28,31);4,7-8,16-19H,5-6,9-15H2,1-3H3,(H,28,31);5-7,15,17H,2-4,8-14,16H2,1H3,(H,27,31);3-5,14-15H,6-13H2,1-2H3;2-4,13-14,27H,5-12H2,1H3
InChIKeyKHDYNAKOXGDRKM-UHFFFAOYSA-N
XLogP28.06
TPSA202.34 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.90
LogP ≤ 528.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one with MolForge

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Related Compounds

[3-Acetyl-1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-3-[2-[1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-3-[2-[1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindol-3-yl]-2-oxoethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-[ethoxy(hydroxy)phosphoryl]indol-3-yl]-2-oxoethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]phosphonic acid
CID 123957103
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 157125572
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
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
(2S,4R)-1-[2-[3-acetyl-6-[bis(2,2,2-trifluoroethoxy)phosphoryl]indol-1-yl]acetyl]-4-fluoro-N-[(2-fluoro-3-methylphenyl)methyl]pyrrolidine-2-carboxamide;[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]-butoxyphosphinic acid;(2S,4R)-1-[2-(3-acetyl-6-dibutoxyphosphorylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;[3-carbamoyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]phosphonic acid
CID 157529297
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
(2R)-1-(1-ethylindol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(1-ethylindol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-1-[1-(2-hydroxyethyl)indol-3-yl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[1-(2,2,2-trifluoroethyl)indol-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[1-(2,2,2-trifluoroethyl)indol-3-yl]ethanone
CID 157661676
2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 157726565
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one?
The IUPAC name of 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one (CID 159133304) is 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one.
What is the SMILES notation for 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one?
The canonical SMILES for 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one is CC(C)N1CCCC1Cn1cc(C(=O)NCC2CCC(C)(F)CC2)c2c(Cl)cccc21.CC1(F)CCC(CCC(=O)c2cn(CCO)c3cccc(C(F)(F)F)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCCCC3)c3cccc(Cl)c23)CC1.CC1(F)CCC(CNC(=O)c2cn(CC3CCCN3C3CC3)c3cccc(Cl)c23)CC1.COCCn1cc(C(=O)CCC2CCC(C)(F)CC2)c2c(C(F)(F)F)cccc21.
What is the InChIKey of 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one?
The InChIKey is KHDYNAKOXGDRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClFN3O.C25H35ClFN3O.C24H31ClFN3O2.C22H27F4NO2.C21H25F4NO2/c1-25(27)11-9-17(10-12-25)14-28-24(31)20-16-29(22-6-2-5-21(26)23(20)22)15-19-4-3-13-30(19)18-7-8-18;1-17(2)30-13-5-6-19(30)15-29-16-20(23-21(26)7-4-8-22(23)29)24(31)28-14-18-9-11-25(3,27)12-10-18;1-24(26)10-8-17(9-11-24)14-27-23(31)18-15-29(20-7-5-6-19(25)22(18)20)16-21(30)28-12-3-2-4-13-28;1-21(23)10-8-15(9-11-21)6-7-19(28)16-14-27(12-13-29-2)18-5-3-4-17(20(16)18)22(24,25)26;1-20(22)9-7-14(8-10-20)5-6-18(28)15-13-26(11-12-27)17-4-2-3-16(19(15)17)21(23,24)25/h2,5-6,16-19H,3-4,7-15H2,1H3,(H,28,31);4,7-8,16-19H,5-6,9-15H2,1-3H3,(H,28,31);5-7,15,17H,2-4,8-14,16H2,1H3,(H,27,31);3-5,14-15H,6-13H2,1-2H3;2-4,13-14,27H,5-12H2,1H3.
What are the key properties of 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one?
4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one has a molecular weight of 2154.90 g/mol, XLogP of 28.06, 30 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one is sourced from PubChem (CID 159133304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).