1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine

C171H205N35OS — CID 158966858

IUPAC1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)n1.CC(C)c1cccc(N2CCN(C3COC3)CC2)n1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.CC(C)c1nc(-c2ccc3c(cnn3C)c2)ccc1N.CC(C)c1nc(-c2ccc3c(cnn3C)c2)cs1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C(C)C)nc1-c1ccc2c(cnn2C)c1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12
InChIInChI=1S/2C18H20N2.C17H19N3.C16H18N4.C16H17N3.C15H18N4.C15H23N3O.C14H15N3S.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-11(2)15-7-5-12(3)17(19-15)13-6-8-16-14(9-13)10-18-20(16)4;1-10(2)16-13(17)5-6-14(19-16)11-4-7-15-12(8-11)9-18-20(15)3;1-11(2)14-5-4-6-15(18-14)12-7-8-16-13(9-12)10-17-19(16)3;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;1-12(2)14-4-3-5-15(16-14)18-8-6-17(7-9-18)13-10-19-11-13;1-9(2)14-16-12(8-18-14)10-4-5-13-11(6-10)7-15-17(13)3;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-11H,1-4H3;4-10H,17H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;3-5,12-13H,6-11H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyJNHUYGNZRNJGHL-UHFFFAOYSA-N
MW2798.83 g/mol
LogP38.33
Rot. Bonds23

About 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine

1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 158966858) has the molecular formula C171H205N35OS and a molecular weight of 2798.83 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine
PubChem CID158966858
Molecular FormulaC171H205N35OS
Molecular Weight2798.83 g/mol
Exact Mass2796.68
IUPAC Name1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)n1.CC(C)c1cccc(N2CCN(C3COC3)CC2)n1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.CC(C)c1nc(-c2ccc3c(cnn3C)c2)ccc1N.CC(C)c1nc(-c2ccc3c(cnn3C)c2)cs1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C(C)C)nc1-c1ccc2c(cnn2C)c1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12
InChIInChI=1S/2C18H20N2.C17H19N3.C16H18N4.C16H17N3.C15H18N4.C15H23N3O.C14H15N3S.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-11(2)15-7-5-12(3)17(19-15)13-6-8-16-14(9-13)10-18-20(16)4;1-10(2)16-13(17)5-6-14(19-16)11-4-7-15-12(8-11)9-18-20(15)3;1-11(2)14-5-4-6-15(18-14)12-7-8-16-13(9-12)10-17-19(16)3;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;1-12(2)14-4-3-5-15(16-14)18-8-6-17(7-9-18)13-10-19-11-13;1-9(2)14-16-12(8-18-14)10-4-5-13-11(6-10)7-15-17(13)3;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-11H,1-4H3;4-10H,17H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;3-5,12-13H,6-11H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyJNHUYGNZRNJGHL-UHFFFAOYSA-N
XLogP38.33
TPSA357.13 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002798.83
LogP ≤ 538.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
6-(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-1,3-benzothiazol-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(2,4,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 159999874
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 161533387
N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4,5-dimethyl-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine;N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-4-phenyl-1,3-thiazol-2-amine
CID 88079044
Ethane;3-methyl-1-[1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980072
3-N-[1-[4-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]ethenyl]-1-phenylpyrazole-3,4-diamine;2-N-[1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]ethenyl]benzene-1,2-diamine
CID 145540855
4-[1-[5-[3-Amino-2-(2-methoxyethylsulfinyl)-6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-yl]-2-methylpyrazol-1-ium-3-yl]-6-imidazo[1,2-a]pyrimidin-6-yl-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine
CID 153597200
Cinnoline;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyrido[3,2-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 157142353

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine (CID 158966858) is 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine is CC(C)c1ccc2nnn(C)c2c1.CC(C)c1cccc(-c2ccc3c(cnn3C)c2)n1.CC(C)c1cccc(N2CCN(C3COC3)CC2)n1.CC(C)c1cn(C)c(-c2ccc3c(cnn3C)c2)n1.CC(C)c1nc(-c2ccc3c(cnn3C)c2)ccc1N.CC(C)c1nc(-c2ccc3c(cnn3C)c2)cs1.Cc1c2cc(C(C)C)ccc2nn1Cc1ccccc1.Cc1ccc(C(C)C)nc1-c1ccc2c(cnn2C)c1.Cc1nc(C)n2ccc(C(C)C)cc12.Cc1nn(Cc2ccccc2)c2ccc(C(C)C)cc12.Cc1nnc2cc(C(C)C)ccn12.Cc1nnn2ccc(C(C)C)cc12.
What is the InChIKey of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is JNHUYGNZRNJGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N2.C17H19N3.C16H18N4.C16H17N3.C15H18N4.C15H23N3O.C14H15N3S.C12H16N2.3C10H13N3/c1-13(2)16-9-10-18-17(11-16)14(3)20(19-18)12-15-7-5-4-6-8-15;1-13(2)16-9-10-18-17(11-16)14(3)19-20(18)12-15-7-5-4-6-8-15;1-11(2)15-7-5-12(3)17(19-15)13-6-8-16-14(9-13)10-18-20(16)4;1-10(2)16-13(17)5-6-14(19-16)11-4-7-15-12(8-11)9-18-20(15)3;1-11(2)14-5-4-6-15(18-14)12-7-8-16-13(9-12)10-17-19(16)3;1-10(2)13-9-18(3)15(17-13)11-5-6-14-12(7-11)8-16-19(14)4;1-12(2)14-4-3-5-15(16-14)18-8-6-17(7-9-18)13-10-19-11-13;1-9(2)14-16-12(8-18-14)10-4-5-13-11(6-10)7-15-17(13)3;1-8(2)11-5-6-14-10(4)13-9(3)12(14)7-11;1-7(2)8-4-5-9-10(6-8)13(3)12-11-9;1-7(2)9-4-5-13-8(3)11-12-10(13)6-9;1-7(2)9-4-5-13-10(6-9)8(3)11-12-13/h2*4-11,13H,12H2,1-3H3;5-11H,1-4H3;4-10H,17H2,1-3H3;4-11H,1-3H3;5-10H,1-4H3;3-5,12-13H,6-11H2,1-2H3;4-9H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3.
What are the key properties of 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine?
1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 2798.83 g/mol, XLogP of 38.33, 23 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-propan-2-ylindazole;2-benzyl-3-methyl-5-propan-2-ylindazole;1,3-dimethyl-7-propan-2-ylimidazo[1,5-a]pyridine;6-(1-methylindazol-5-yl)-2-propan-2-ylpyridin-3-amine;4-(1-methylindazol-5-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-5-(1-methyl-4-propan-2-ylimidazol-2-yl)indazole;1-methyl-5-(3-methyl-6-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-propan-2-ylbenzotriazole;1-methyl-5-(6-propan-2-yl-2-pyridinyl)indazole;3-methyl-5-propan-2-yltriazolo[1,5-a]pyridine;3-methyl-7-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-(oxetan-3-yl)-4-(6-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 158966858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).