4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline

C220H275F7N30 — CID 160940518

IUPAC4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline
SMILESCC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2cnccc12.CC(C)(C)c1nccc2ccccc12.Cc1ccc(-c2cnn(C)c2)c(C(F)F)c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(cnn2C)c1C(C)(C)C.Cn1cc(-c2cc3c(cc2C(F)F)N(C(C)(C)C)CCC3)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2C(F)F)cn1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cccc(C(C)(C)C)c21
InChIInChI=1S/C18H23F2N3.C16H20F2N2.C15H18F2N2.C13H18N2.4C13H15N.C12H14FN.C12H15N3.4C12H16N2.C12H15N.2C11H14N2/c1-18(2,3)23-7-5-6-12-8-14(13-10-21-22(4)11-13)15(17(19)20)9-16(12)23;1-10-6-7-12(11-8-19-20(5)9-11)13(15(17)18)14(10)16(2,3)4;1-15(2,3)12-7-5-6-11(13(12)14(16)17)10-8-18-19(4)9-10;1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;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;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)11-9-4-5-14-7-8(9)6-10(13)15-11;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h8-11,17H,5-7H2,1-4H3;6-9,15H,1-5H3;5-9,14H,1-4H3;6-8H,1-5H3;4*4-9H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,15);5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeySULIPDQWUBEUMV-UHFFFAOYSA-N
MW3472.82 g/mol
LogP57.92
Rot. Bonds6

About 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline

4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline (PubChem CID 160940518) has the molecular formula C220H275F7N30 and a molecular weight of 3472.82 g/mol. Its IUPAC name is 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline.

Molecular Properties

Compound Name4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline
PubChem CID160940518
Molecular FormulaC220H275F7N30
Molecular Weight3472.82 g/mol
Exact Mass3470.23
IUPAC Name4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline
SMILESCC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2cnccc12.CC(C)(C)c1nccc2ccccc12.Cc1ccc(-c2cnn(C)c2)c(C(F)F)c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(cnn2C)c1C(C)(C)C.Cn1cc(-c2cc3c(cc2C(F)F)N(C(C)(C)C)CCC3)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2C(F)F)cn1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cccc(C(C)(C)C)c21
InChIInChI=1S/C18H23F2N3.C16H20F2N2.C15H18F2N2.C13H18N2.4C13H15N.C12H14FN.C12H15N3.4C12H16N2.C12H15N.2C11H14N2/c1-18(2,3)23-7-5-6-12-8-14(13-10-21-22(4)11-13)15(17(19)20)9-16(12)23;1-10-6-7-12(11-8-19-20(5)9-11)13(15(17)18)14(10)16(2,3)4;1-15(2,3)12-7-5-6-11(13(12)14(16)17)10-8-18-19(4)9-10;1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;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;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)11-9-4-5-14-7-8(9)6-10(13)15-11;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h8-11,17H,5-7H2,1-4H3;6-9,15H,1-5H3;5-9,14H,1-4H3;6-8H,1-5H3;4*4-9H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,15);5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeySULIPDQWUBEUMV-UHFFFAOYSA-N
XLogP57.92
TPSA348.96 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003472.82
LogP ≤ 557.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline with MolForge

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Related Compounds

5-[5-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-2-fluorophenyl]-1-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-3,4-dihydroisoquinolin-7-yl]pyridin-3-amine
CID 137083771
5-[5-fluoro-4-[4-[4-fluoro-3-[4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-methyl-1,2-dihydroquinazolin-6-yl]pyridin-3-amine
CID 145034103
5-[5-(1-cyclohexylethenylamino)-3-pyridinyl]-N-[3-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-6,7-dihydro-1H-indol-2-yl]-N-methylindazol-1-amine;ethane
CID 145247990
N-(1-cyclohexylethenyl)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;ethane
CID 145308173
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
N-[3-[2-[1-[[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(ethylaminomethyl)-3-pyridinyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 156156377
8-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-5-(3,4-difluorophenyl)-6-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazolo[4,3-g]isoquinoline
CID 156879888
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 157209259
CID 157227137
CID 157227137
7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carbonitrile;1-methyl-7-[3-(trifluoromethyl)-2H-indazol-5-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 157227647
1-N-(3,3-difluorocyclobutyl)-1-N-methyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)naphthalene-1,6-diamine;1-N-(3,3-difluorocyclobutyl)-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)naphthalene-1,6-diamine;1-N-(3,3-difluorocyclobutyl)-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)naphthalene-1,6-diamine;1-N-(3-fluorocyclobutyl)-6-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)naphthalene-1,6-diamine;1-N-(3-methylcyclobutyl)-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)naphthalene-1,6-diamine;1-N-(3-methylcyclobutyl)-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)naphthalene-1,6-diamine
CID 157236926
CID 157491628
CID 157491628

Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline?
The IUPAC name of 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline (CID 160940518) is 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline.
What is the SMILES notation for 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline?
The canonical SMILES for 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline is CC(C)(C)c1c(F)ccc2[nH]ccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(N)cc2cnccc12.CC(C)(C)c1nccc2ccccc12.Cc1ccc(-c2cnn(C)c2)c(C(F)F)c1C(C)(C)C.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2c(cnn2C)c1C(C)(C)C.Cn1cc(-c2cc3c(cc2C(F)F)N(C(C)(C)C)CCC3)cn1.Cn1cc(-c2cccc(C(C)(C)C)c2C(F)F)cn1.Cn1cc2c(C(C)(C)C)cccc2n1.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cccc(C(C)(C)C)c21.
What is the InChIKey of 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline?
The InChIKey is SULIPDQWUBEUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3.C16H20F2N2.C15H18F2N2.C13H18N2.4C13H15N.C12H14FN.C12H15N3.4C12H16N2.C12H15N.2C11H14N2/c1-18(2,3)23-7-5-6-12-8-14(13-10-21-22(4)11-13)15(17(19)20)9-16(12)23;1-10-6-7-12(11-8-19-20(5)9-11)13(15(17)18)14(10)16(2,3)4;1-15(2,3)12-7-5-6-11(13(12)14(16)17)10-8-18-19(4)9-10;1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;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;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-8-6-7-14-10(8)5-4-9(11)13;1-12(2,3)11-9-4-5-14-7-8(9)6-10(13)15-11;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h8-11,17H,5-7H2,1-4H3;6-9,15H,1-5H3;5-9,14H,1-4H3;6-8H,1-5H3;4*4-9H,1-3H3;4-7,14H,1-3H3;4-7H,1-3H3,(H2,13,15);5-7H,1-4H3,(H,13,14);3*5-8H,1-4H3;4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13).
What are the key properties of 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline?
4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline has a molecular weight of 3472.82 g/mol, XLogP of 57.92, 6 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-2-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole;1-tert-butyl-7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;4-[3-tert-butyl-2-(difluoromethyl)phenyl]-1-methylpyrazole;4-tert-butyl-1,5-dimethylindazole;4-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butylisoquinoline;4-tert-butylisoquinoline;4-tert-butyl-1-methylindazole;4-tert-butyl-2-methylindazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindazole;1-tert-butyl-2,6-naphthyridin-3-amine;4-tert-butylquinoline;5-tert-butylquinoline is sourced from PubChem (CID 160940518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).