1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C261H377BrClF7N30 — CID 157378604

IUPAC1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1ncc(N(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/4C12H15N.2C12H14.3C11H14N2.2C11H13N.3C10H12N2.C9H11Br.C9H11Cl.C9H10F3N.C9H11F.C9H15N3.2C9H13N.C8H9F3N2.2C8H12N2.17CH4/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;2*1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-3-7(9)5-10-8;;;;;;;;;;;;;;;;;/h4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3*4-8H,1-3H3;2*3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;2*4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,9H2,1-2H3;17*1H4
InChIKeyBKPLUTDVXJGDIG-UHFFFAOYSA-N
MW4183.44 g/mol
LogP80.45
Rot. Bonds25

About 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 157378604) has the molecular formula C261H377BrClF7N30 and a molecular weight of 4183.44 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID157378604
Molecular FormulaC261H377BrClF7N30
Molecular Weight4183.44 g/mol
Exact Mass4178.92
IUPAC Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1ncc(N(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/4C12H15N.2C12H14.3C11H14N2.2C11H13N.3C10H12N2.C9H11Br.C9H11Cl.C9H10F3N.C9H11F.C9H15N3.2C9H13N.C8H9F3N2.2C8H12N2.17CH4/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;2*1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-3-7(9)5-10-8;;;;;;;;;;;;;;;;;/h4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3*4-8H,1-3H3;2*3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;2*4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,9H2,1-2H3;17*1H4
InChIKeyBKPLUTDVXJGDIG-UHFFFAOYSA-N
XLogP80.45
TPSA345.00 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004183.44
LogP ≤ 580.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

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
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
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
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CID 157491628
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3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[(2-phenylquinolin-3-yl)methyl]-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157619872
4-chloro-1,3-dimethylindole;7-chloro-3-methyl-2H-indazole;1-cyclopropyl-3-methylindazole;1,3-dimethylindazole;3,7-dimethyl-2H-indazole;2,3-dimethyl-1H-indole;3,7-dimethyl-1H-indole;1,3-dimethylpyrazolo[5,4-b]pyridine;1,3-dimethylpyrazolo[4,5-c]pyridine;1,3-dimethylpyrazolo[3,4-d]pyrimidine;1,3-dimethylpyrrolo[2,3-b]pyridine;1,3-dimethylpyrrolo[3,2-b]pyridine;1,3-dimethylpyrrolo[2,3-c]pyridine;1,3-dimethylpyrrolo[3,2-c]pyridine;3,7-dimethyl-1H-pyrrolo[2,3-c]pyridine;1,3-dimethyl-7-(trifluoromethyl)indole;3-methyl-2H-indazole;3-methyl-1H-indole-7-carbonitrile;3-methyl-1-(trideuteriomethyl)indole;3-methyl-7-(trifluoromethyl)-2H-indazole;3-methyl-7-(trifluoromethyl)-1H-indole;1,3,4-trimethylindole;1,3,6-trimethylpyrrolo[2,3-b]pyridine;1,3,7-trimethylpyrrolo[2,3-c]pyridine
CID 158018596
CID 158136776
CID 158136776
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-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;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 158218994
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-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
CID 158263400
1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(3,5-dimethylpyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)imidazo[2,1-a]isoquinoline;8-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)tetrazolo[5,1-a]isoquinoline
CID 158336831

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 157378604) is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)CN=N2.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CC=C2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1ncc(N(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is BKPLUTDVXJGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.2C12H14.3C11H14N2.2C11H13N.3C10H12N2.C9H11Br.C9H11Cl.C9H10F3N.C9H11F.C9H15N3.2C9H13N.C8H9F3N2.2C8H12N2.17CH4/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;2*1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-10-5-8(6-11-9)12(3)4;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-3-7(9)5-10-8;;;;;;;;;;;;;;;;;/h4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-4,6-9H,5H2,1-2H3;3*4-8H,1-3H3;2*3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;5-7H,1-4H3;2*4-7H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,9H2,1-2H3;17*1H4.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 4183.44 g/mol, XLogP of 80.45, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 157378604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).