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

C71H82Cl3F3N6O3 — CID 158677108

IUPAC6-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
SMILESCC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2[nH]ccc12.CCc1cc(F)c(C(C)C)c2cc[nH]c12.COc1c(Cl)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CN=C2
InChIInChI=1S/C13H15ClO.C13H16FN.C13H15FO.C12H14FNO.2C10H11ClN2/c1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-4-9-7-11(14)12(8(2)3)10-5-6-15-13(9)10;1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-7(2)8-4-11(13)12(15-3)10-6-14-5-9(8)10;1-6(2)9-7-3-4-12-10(7)8(11)5-13-9;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-5,7-8H,6H2,1-3H3;5-8,15H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-6,12H,1-2H3;3-6H,1-2H3,(H,12,13)
InChIKeyIEQTZBHBCFWSAO-UHFFFAOYSA-N
MW1230.83 g/mol
LogP21.13
Rot. Bonds10

About 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

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 (PubChem CID 158677108) has the molecular formula C71H82Cl3F3N6O3 and a molecular weight of 1230.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158677108
Molecular FormulaC71H82Cl3F3N6O3
Molecular Weight1230.83 g/mol
Exact Mass1228.55
IUPAC Name6-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
SMILESCC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2[nH]ccc12.CCc1cc(F)c(C(C)C)c2cc[nH]c12.COc1c(Cl)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CN=C2
InChIInChI=1S/C13H15ClO.C13H16FN.C13H15FO.C12H14FNO.2C10H11ClN2/c1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-4-9-7-11(14)12(8(2)3)10-5-6-15-13(9)10;1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-7(2)8-4-11(13)12(15-3)10-6-14-5-9(8)10;1-6(2)9-7-3-4-12-10(7)8(11)5-13-9;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-5,7-8H,6H2,1-3H3;5-8,15H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-6,12H,1-2H3;3-6H,1-2H3,(H,12,13)
InChIKeyIEQTZBHBCFWSAO-UHFFFAOYSA-N
XLogP21.13
TPSA113.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.83
LogP ≤ 521.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;2,4-difluoro-1-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)pyrazole;2-methylpropylbenzene;5-(2-methylpropyl)-3,4-dihydro-2H-chromene;4-(2-methylpropyl)-1H-indene;3-(2-methylpropyl)-1H-indole
CID 161524524
6-chloro-7-methoxy-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-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indazole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol;methane
CID 161993947

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(Cl)c2[nH]ncc12.CC(C)c1ncc(Cl)c2[nH]ccc12.CCc1cc(F)c(C(C)C)c2cc[nH]c12.COc1c(Cl)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CC=C2.COc1c(F)cc(C(C)C)c2c1CN=C2.
What is the InChIKey of 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?
The InChIKey is IEQTZBHBCFWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO.C13H16FN.C13H15FO.C12H14FNO.2C10H11ClN2/c1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-4-9-7-11(14)12(8(2)3)10-5-6-15-13(9)10;1-8(2)11-7-12(14)13(15-3)10-6-4-5-9(10)11;1-7(2)8-4-11(13)12(15-3)10-6-14-5-9(8)10;1-6(2)9-7-3-4-12-10(7)8(11)5-13-9;1-6(2)7-3-4-9(11)10-8(7)5-12-13-10/h4-5,7-8H,6H2,1-3H3;5-8,15H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-5,7H,6H2,1-3H3;3-6,12H,1-2H3;3-6H,1-2H3,(H,12,13).
What are the key properties of 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?
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 has a molecular weight of 1230.83 g/mol, XLogP of 21.13, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158677108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).