6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol

C68H78Cl3F3N8O2 — CID 157316304

IUPAC6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
SMILESCC(C)c1c(F)cc(CO)c2[nH]ccc12.CC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2c1C=CC2.COc1c(F)cc(C(C)C)c2cn[nH]c12.Cc1c(Cl)cc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C12H14ClN.C12H14FNO.C12H14FN.C11H12ClN.C11H13FN2O.C10H11ClN2/c1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-3-4-14-12(9)8(6-15)5-10(11)13;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-5-3-4-8(9)10(12)6-13-11;1-6(2)7-4-9(12)11(15-3)10-8(7)5-13-14-10;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-7,14H,1-3H3;3-5,7,14-15H,6H2,1-2H3;4-7,14H,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyBDQAUWQGXSPZQQ-UHFFFAOYSA-N
MW1202.78 g/mol
LogP20.52
Rot. Bonds8

About 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol

6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol (PubChem CID 157316304) has the molecular formula C68H78Cl3F3N8O2 and a molecular weight of 1202.78 g/mol. Its IUPAC name is 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
PubChem CID157316304
Molecular FormulaC68H78Cl3F3N8O2
Molecular Weight1202.78 g/mol
Exact Mass1200.53
IUPAC Name6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
SMILESCC(C)c1c(F)cc(CO)c2[nH]ccc12.CC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2c1C=CC2.COc1c(F)cc(C(C)C)c2cn[nH]c12.Cc1c(Cl)cc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C12H14ClN.C12H14FNO.C12H14FN.C11H12ClN.C11H13FN2O.C10H11ClN2/c1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-3-4-14-12(9)8(6-15)5-10(11)13;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-5-3-4-8(9)10(12)6-13-11;1-6(2)7-4-9(12)11(15-3)10-8(7)5-13-14-10;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-7,14H,1-3H3;3-5,7,14-15H,6H2,1-2H3;4-7,14H,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyBDQAUWQGXSPZQQ-UHFFFAOYSA-N
XLogP20.52
TPSA147.08 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.78
LogP ≤ 520.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol with MolForge

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Related Compounds

but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157457266
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157534800
6-chloro-7-methoxy-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indazole;7-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;7-ethyl-5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indene;6-fluoro-7-methoxy-4-propan-2-yl-1H-isoindole
CID 158677108
but-2-yn-1-ol;3-chloro-5-methylphenol;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159093761
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159181744
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-2-fluorophenyl)-1H-pyrazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 159305167
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2,3-dihydro-1H-indole;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159564197
but-2-yn-1-ol;1-chloro-3,5-dimethylbenzene;3,6-dimethyl-2H-indazole;bis(1-fluoro-3,5-dimethylbenzene);2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;5-fluoro-2-methylphenol;3-methylaniline;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;tris(1,3-xylene)
CID 159831630
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 160046120
6-chloro-7-methyl-4-propan-2-yl-1H-indole;7-chloro-4-propan-2-yl-1H-indazole;7-chloro-4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
CID 160458929
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-2-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;2-tert-butyl-5-(1H-pyrazol-4-yl)pyridine;5-tert-butyl-2-(1H-pyrazol-4-yl)pyridine
CID 160893202
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-cyclopropylbenzene;7-tert-butyl-6-fluoro-1H-indazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methoxynaphthalene;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;8-tert-butylquinolin-6-ol
CID 161189493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol?
The IUPAC name of 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol (CID 157316304) is 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol.
What is the SMILES notation for 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol?
The canonical SMILES for 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol is CC(C)c1c(F)cc(CO)c2[nH]ccc12.CC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2c1C=CC2.COc1c(F)cc(C(C)C)c2cn[nH]c12.Cc1c(Cl)cc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12.
What is the InChIKey of 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol?
The InChIKey is BDQAUWQGXSPZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN.C12H14FNO.C12H14FN.C11H12ClN.C11H13FN2O.C10H11ClN2/c1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-3-4-14-12(9)8(6-15)5-10(11)13;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-7(2)11-9-5-3-4-8(9)10(12)6-13-11;1-6(2)7-4-9(12)11(15-3)10-8(7)5-13-14-10;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-7,14H,1-3H3;3-5,7,14-15H,6H2,1-2H3;4-7,14H,1-3H3;3,5-7H,4H2,1-2H3;4-6H,1-3H3,(H,13,14);3-6H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol?
6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol has a molecular weight of 1202.78 g/mol, XLogP of 20.52, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol is sourced from PubChem (CID 157316304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).