7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline

C167H213Cl2FN26O2 — CID 167538520

IUPAC7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1ccnc2ccccc12.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/3C13H18N2.C13H15N.C12H16N2O.2C12H16N2.C12H14N2.C12H15NO.2C11H13ClN2.C11H13FN2.2C11H14N2/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h3*6-7H,1-5H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyAWEMHRNAXPBKRR-UHFFFAOYSA-N
MW2706.62 g/mol
LogP45.28
Rot. Bonds1

About 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline

7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline (PubChem CID 167538520) has the molecular formula C167H213Cl2FN26O2 and a molecular weight of 2706.62 g/mol. Its IUPAC name is 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline.

Molecular Properties

Compound Name7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
PubChem CID167538520
Molecular FormulaC167H213Cl2FN26O2
Molecular Weight2706.62 g/mol
Exact Mass2703.67
IUPAC Name7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1ccnc2ccccc12.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/3C13H18N2.C13H15N.C12H16N2O.2C12H16N2.C12H14N2.C12H15NO.2C11H13ClN2.C11H13FN2.2C11H14N2/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h3*6-7H,1-5H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyAWEMHRNAXPBKRR-UHFFFAOYSA-N
XLogP45.28
TPSA389.41 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds1
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.62
LogP ≤ 545.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-6-chloro-2H-indazole;3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-6-methoxy-2H-indazole;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-c]pyridine;5-chloro-3-propan-2-yl-2H-indazole;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;5-methoxy-3-propan-2-yl-2H-indazole;7-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole-5-carbonitrile;3-propan-2-yl-2H-indazole-6-carbonitrile
CID 157581649
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 158235906
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158330625
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;1-methyl-3-propan-2-ylindazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline
CID 158577746
2-Chloro-4-methylaniline;2-chloro-5-methylaniline;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;5-methyl-1,2-benzoxazol-3-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 158627954
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158686062
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-indole;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline
CID 159072011
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159308181
6-chloroquinoline;cinnoline;6-fluoroquinoline;1H-imidazo[4,5-b]pyridine;5H-imidazo[4,5-c]pyridazine;3H-imidazo[4,5-c]pyridine;3-(1H-imidazol-5-yl)pyridine;5-(1H-imidazol-5-yl)pyrimidine;isoquinoline;5-(2-methoxyphenyl)-1,2-oxazole;6-methoxyquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;5-phenyl-1H-imidazole;5-phenyl-2H-tetrazole;phthalazine;bis(7H-purine);pyridine;quinazoline;quinoline;quinoxaline
CID 160163746
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;2-propan-2-ylisoquinolin-2-ium;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 160320161
7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 160733480
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-indole;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline
CID 160789820

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline?
The IUPAC name of 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline (CID 167538520) is 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline.
What is the SMILES notation for 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline?
The canonical SMILES for 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline is CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1ccnc2ccccc12.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2[nH]ncc2c(C(C)(C)C)c1C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1noc2cccc(C(C)(C)C)c12.
What is the InChIKey of 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline?
The InChIKey is AWEMHRNAXPBKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H18N2.C13H15N.C12H16N2O.2C12H16N2.C12H14N2.C12H15NO.2C11H13ClN2.C11H13FN2.2C11H14N2/c1-8-6-11-10(7-14-15-11)12(9(8)2)13(3,4)5;1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h3*6-7H,1-5H3,(H,14,15);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3,(H,13,14);4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13).
What are the key properties of 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline?
7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline has a molecular weight of 2706.62 g/mol, XLogP of 45.28, 1 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline is sourced from PubChem (CID 167538520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).