6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline

C127H162ClF4N11O2 — CID 160623767

IUPAC6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)c1cc2ccccc2cn1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H24N2O.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN.C12H13N/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3;3-9H,1-2H3
InChIKeyRHANEJKHWAVUCN-UHFFFAOYSA-N
MW1986.21 g/mol
LogP36.07
Rot. Bonds6

About 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline

6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline (PubChem CID 160623767) has the molecular formula C127H162ClF4N11O2 and a molecular weight of 1986.21 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
PubChem CID160623767
Molecular FormulaC127H162ClF4N11O2
Molecular Weight1986.21 g/mol
Exact Mass1984.25
IUPAC Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)c1cc2ccccc2cn1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H24N2O.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN.C12H13N/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3;3-9H,1-2H3
InChIKeyRHANEJKHWAVUCN-UHFFFAOYSA-N
XLogP36.07
TPSA188.62 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.21
LogP ≤ 536.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline with MolForge

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Related Compounds

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-3-(6-chloroquinolin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 124183763
N-[1-(3-chloro-6-fluoro-1H-indol-5-yl)ethyl]-3-(6-chloroquinolin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 124183925
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 157117170
2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-6-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(5-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;6-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
CID 157606243
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[5-[2-[2-(4-chlorophenyl)-1-ethylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-(1-ethylindol-5-yl)acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[1-methyl-2-[4-(trifluoromethyl)phenyl]indol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 157675599
8-chloro-2-(7-ethynyl-5-fluoro-1H-indol-3-yl)quinoline;2-(7-chloro-4-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-8-fluoroquinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methyl-8-(trifluoromethyl)quinoline-5-carboxamide;6-fluoro-2-(7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline
CID 157796486
(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157859090
hexakis(carbon dioxide);N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157943756
pentakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-difluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158097779
hexakis(carbon dioxide);N-[(1R)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158403841
(4-benzhydrylpiperazin-1-yl)-(5-tert-butyl-3-methyl-1H-indol-2-yl)methanone;(4-benzhydrylpiperazin-1-yl)-(2-chloroquinolin-3-yl)methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 158421019
8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline
CID 158642278

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline (CID 160623767) is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline is CC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)CNC(=O)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)c1cc2ccccc2cn1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline?
The InChIKey is RHANEJKHWAVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H24N2O.C16H23N.C14H19N.C13H14F3N.C13H17N.C12H14ClN.C12H14FN.C12H13N/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-11(2)10-19-16(20)13-8-12-6-7-18-15(12)9-14(13)17(3,4)5;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12/h7-8,11-12,19H,4-6,9-10H2,1-3H3;6-9,11,18H,10H2,1-5H3,(H,19,20);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;2*4-7,14H,1-3H3;3-9H,1-2H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline?
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline has a molecular weight of 1986.21 g/mol, XLogP of 36.07, 6 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline is sourced from PubChem (CID 160623767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).