4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline

C187H226Cl3F6N23 — CID 158353810

IUPAC4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)c(Cl)cc2[nH]ncc12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.Cc1cc2c(C(C)(C)C)cncc2cc1F.Cc1cc2ccccc2c(C(C)(C)C)n1.Cc1ccc2[nH]c(F)cc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(F)c2c1C(C)(C)C
InChIInChI=1S/C14H16FN.C14H17N.C13H16FN.C13H18N2.C13H16N2.C13H17N.3C13H15N.C12H15FN2.C12H16N2.2C11H12ClFN2.C11H13ClN2.C11H13FN2/c1-9-5-11-10(6-13(9)15)7-16-8-12(11)14(2,3)4;1-10-9-11-7-5-6-8-12(11)13(15-10)14(2,3)4;1-8-5-6-10-9(7-11(14)15-10)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-11(2,3)9-6-5-14-15-8(6)4-7(12)10(9)13;2*1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12/h5-8H,1-4H3;5-9H,1-4H3;5-7,15H,1-4H3;6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);5-8,14H,1-4H3;3*4-9H,1-3H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14)
InChIKeyGSQGICHXPQRXQV-UHFFFAOYSA-N
MW3016.37 g/mol
LogP52.99
Rot. Bonds

About 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline

4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline (PubChem CID 158353810) has the molecular formula C187H226Cl3F6N23 and a molecular weight of 3016.37 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline
PubChem CID158353810
Molecular FormulaC187H226Cl3F6N23
Molecular Weight3016.37 g/mol
Exact Mass3012.74
IUPAC Name4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)c(Cl)cc2[nH]ncc12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.Cc1cc2c(C(C)(C)C)cncc2cc1F.Cc1cc2ccccc2c(C(C)(C)C)n1.Cc1ccc2[nH]c(F)cc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(F)c2c1C(C)(C)C
InChIInChI=1S/C14H16FN.C14H17N.C13H16FN.C13H18N2.C13H16N2.C13H17N.3C13H15N.C12H15FN2.C12H16N2.2C11H12ClFN2.C11H13ClN2.C11H13FN2/c1-9-5-11-10(6-13(9)15)7-16-8-12(11)14(2,3)4;1-10-9-11-7-5-6-8-12(11)13(15-10)14(2,3)4;1-8-5-6-10-9(7-11(14)15-10)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-11(2,3)9-6-5-14-15-8(6)4-7(12)10(9)13;2*1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12/h5-8H,1-4H3;5-9H,1-4H3;5-7,15H,1-4H3;6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);5-8,14H,1-4H3;3*4-9H,1-3H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14)
InChIKeyGSQGICHXPQRXQV-UHFFFAOYSA-N
XLogP52.99
TPSA335.70 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003016.37
LogP ≤ 552.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

7-(2-chlorophenyl)-N-(1H-indazol-3-yl)-1,6-naphthyridin-5-amine;3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157212739
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-ethyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157274566
9-(6-amino-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 157784741
3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 159055345
8-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(7-fluoro-1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-methylquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159203965
9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159444079
acetonitrile;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-(6-chloro-7-methyl-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
CID 159518096
N-[4-(2-chlorophenyl)-6-pyridin-2-ylpyrimidin-2-yl]-7-methyl-1H-indazol-3-amine;N-[4-[4-chloro-2-(trifluoromethyl)phenyl]-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-(2-isocyanophenyl)-6-pyridin-3-ylpyrimidin-2-yl]-1H-indazol-3-amine;N-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1H-indazol-3-amine
CID 160338300
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;1-ethyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160813549
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(3,4-dimethyl-5-phenylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160823745
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-1H-indazol-3-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-5,6,7,8-tetrahydroquinolin-4-amine;N-[3,4-dimethyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
CID 161221576
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161222129

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline?
The IUPAC name of 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline (CID 158353810) is 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline.
What is the SMILES notation for 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline?
The canonical SMILES for 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline is CC(C)(C)c1c(Cl)c(F)cc2[nH]ncc12.CC(C)(C)c1c(Cl)ccc2[nH]ncc12.CC(C)(C)c1c(F)c(Cl)cc2[nH]ncc12.CC(C)(C)c1c(F)ccc2[nH]ncc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.Cc1cc2c(C(C)(C)C)cncc2cc1F.Cc1cc2ccccc2c(C(C)(C)C)n1.Cc1ccc2[nH]c(F)cc2c1C(C)(C)C.Cc1ccc2[nH]ccc2c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(F)c2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline?
The InChIKey is GSQGICHXPQRXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.C14H17N.C13H16FN.C13H18N2.C13H16N2.C13H17N.3C13H15N.C12H15FN2.C12H16N2.2C11H12ClFN2.C11H13ClN2.C11H13FN2/c1-9-5-11-10(6-13(9)15)7-16-8-12(11)14(2,3)4;1-10-9-11-7-5-6-8-12(11)13(15-10)14(2,3)4;1-8-5-6-10-9(7-11(14)15-10)12(8)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-9-5-6-11-10(7-8-14-11)12(9)13(2,3)4;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-7-5-6-8-9(11(13)15-14-8)10(7)12(2,3)4;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-11(2,3)9-6-5-14-15-8(6)4-7(13)10(9)12;1-11(2,3)9-6-5-14-15-8(6)4-7(12)10(9)13;2*1-11(2,3)10-7-6-13-14-9(7)5-4-8(10)12/h5-8H,1-4H3;5-9H,1-4H3;5-7,15H,1-4H3;6-7H,1-5H3,(H,14,15);4-8H,1-3H3,(H2,14,15);5-8,14H,1-4H3;3*4-9H,1-3H3;5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14).
What are the key properties of 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline?
4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline has a molecular weight of 3016.37 g/mol, XLogP of 52.99, 0 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-6-fluoro-1H-indazole;4-tert-butyl-6-chloro-5-fluoro-1H-indazole;4-tert-butyl-5-chloro-1H-indazole;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;4-tert-butyl-2-fluoro-5-methyl-1H-indole;4-tert-butyl-7-fluoro-6-methylisoquinoline;1-tert-butylisoquinolin-3-amine;4-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;1-tert-butyl-3-methylisoquinoline;4-tert-butylquinoline is sourced from PubChem (CID 158353810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).