N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide

C86H108Cl4F2N8O10 — CID 159902782

IUPACN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCC1.CC1(F)CCC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1CC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CCC1(C)F.O=C(NCC1C[C@@H]2CC[C@H]1C2)c1cn(C2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C22H28ClFN2O3.C22H29ClN2O2.C21H26ClFN2O3.C21H25ClN2O2/c1-14-10-22(28,8-7-21(14,2)24)13-25-20(27)16-11-26(15-6-9-29-12-15)18-5-3-4-17(23)19(16)18;1-22(2,15-6-3-4-7-15)14-24-21(26)17-12-25(16-10-11-27-13-16)19-9-5-8-18(23)20(17)19;1-20(23)6-8-21(27,9-7-20)13-24-19(26)15-11-25(14-5-10-28-12-14)17-4-2-3-16(22)18(15)17;22-18-2-1-3-19-20(18)17(11-24(19)16-6-7-26-12-16)21(25)23-10-15-9-13-4-5-14(15)8-13/h3-5,11,14-15,28H,6-10,12-13H2,1-2H3,(H,25,27);5,8-9,12,15-16H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26);2-4,11,14,27H,5-10,12-13H2,1H3,(H,24,26);1-3,11,13-16H,4-10,12H2,(H,23,25)/t;;;13-,14+,15?,16?/m...1/s1
InChIKeyNWEGDPALRKEDIC-GUQRHLMKSA-N
MW1593.66 g/mol
LogP17.91
Rot. Bonds17

About N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide

N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide (PubChem CID 159902782) has the molecular formula C86H108Cl4F2N8O10 and a molecular weight of 1593.66 g/mol. Its IUPAC name is N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide
PubChem CID159902782
Molecular FormulaC86H108Cl4F2N8O10
Molecular Weight1593.66 g/mol
Exact Mass1590.69
IUPAC NameN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCC1.CC1(F)CCC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1CC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CCC1(C)F.O=C(NCC1C[C@@H]2CC[C@H]1C2)c1cn(C2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C22H28ClFN2O3.C22H29ClN2O2.C21H26ClFN2O3.C21H25ClN2O2/c1-14-10-22(28,8-7-21(14,2)24)13-25-20(27)16-11-26(15-6-9-29-12-15)18-5-3-4-17(23)19(16)18;1-22(2,15-6-3-4-7-15)14-24-21(26)17-12-25(16-10-11-27-13-16)19-9-5-8-18(23)20(17)19;1-20(23)6-8-21(27,9-7-20)13-24-19(26)15-11-25(14-5-10-28-12-14)17-4-2-3-16(22)18(15)17;22-18-2-1-3-19-20(18)17(11-24(19)16-6-7-26-12-16)21(25)23-10-15-9-13-4-5-14(15)8-13/h3-5,11,14-15,28H,6-10,12-13H2,1-2H3,(H,25,27);5,8-9,12,15-16H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26);2-4,11,14,27H,5-10,12-13H2,1H3,(H,24,26);1-3,11,13-16H,4-10,12H2,(H,23,25)/t;;;13-,14+,15?,16?/m...1/s1
InChIKeyNWEGDPALRKEDIC-GUQRHLMKSA-N
XLogP17.91
TPSA213.50 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001593.66
LogP ≤ 517.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide with MolForge

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Related Compounds

4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
CID 145106770
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
CID 121393387
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 121406306
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106800
4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
CID 121393420
1-(2-azaspiro[3.3]heptan-6-yl)-4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;1-[4-chloro-1-(1-cyclopropylazetidin-3-yl)indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(piperidin-2-ylmethyl)indole-3-carboxamide;1-[4-chloro-1-[(1-methylpyrrolidin-2-yl)methyl]indol-3-yl]-3-(4-fluoro-4-methylcyclohexyl)propan-1-one
CID 160632943
4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-[[(3R)-oxolan-3-yl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 160802397
(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106793
8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 118693097
8-chloro-N-[[1-hydroxy-3-(2-methylbut-3-en-2-yl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 167131689

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide?
The IUPAC name of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide (CID 159902782) is N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide.
What is the SMILES notation for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide?
The canonical SMILES for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide is CC(C)(CNC(=O)c1cn(C2CCOC2)c2cccc(Cl)c12)C1CCCC1.CC1(F)CCC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CC1.CC1CC(O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)CCC1(C)F.O=C(NCC1C[C@@H]2CC[C@H]1C2)c1cn(C2CCOC2)c2cccc(Cl)c12.
What is the InChIKey of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide?
The InChIKey is NWEGDPALRKEDIC-GUQRHLMKSA-N. The full InChI is InChI=1S/C22H28ClFN2O3.C22H29ClN2O2.C21H26ClFN2O3.C21H25ClN2O2/c1-14-10-22(28,8-7-21(14,2)24)13-25-20(27)16-11-26(15-6-9-29-12-15)18-5-3-4-17(23)19(16)18;1-22(2,15-6-3-4-7-15)14-24-21(26)17-12-25(16-10-11-27-13-16)19-9-5-8-18(23)20(17)19;1-20(23)6-8-21(27,9-7-20)13-24-19(26)15-11-25(14-5-10-28-12-14)17-4-2-3-16(22)18(15)17;22-18-2-1-3-19-20(18)17(11-24(19)16-6-7-26-12-16)21(25)23-10-15-9-13-4-5-14(15)8-13/h3-5,11,14-15,28H,6-10,12-13H2,1-2H3,(H,25,27);5,8-9,12,15-16H,3-4,6-7,10-11,13-14H2,1-2H3,(H,24,26);2-4,11,14,27H,5-10,12-13H2,1H3,(H,24,26);1-3,11,13-16H,4-10,12H2,(H,23,25)/t;;;13-,14+,15?,16?/m...1/s1.
What are the key properties of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide?
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide has a molecular weight of 1593.66 g/mol, XLogP of 17.91, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-chloro-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-3,4-dimethylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-1-hydroxy-4-methylcyclohexyl)methyl]-1-(oxolan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 159902782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).