tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)

C204H269N33O4S — CID 161044395

IUPACtert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)
SMILESC.C.C.C.C=C1Cc2cc(C(C)C)ccc2N1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncc(CN(C)C)n2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cnc2nccn2c1.CCOC(=O)c1cn2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cn2c1C
InChIInChI=1S/C16H23NO2.C13H19N3.C13H16N2O2.C12H16N2.2C12H15N.2C11H14N2.C11H15N.2C11H13N.3C10H12N2.C10H11NS.3C9H11N3.4CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-10(2)11-5-6-13-14-7-12(9-15(3)4)16(13)8-11;1-4-17-13(16)11-8-15-7-10(9(2)3)5-6-12(15)14-11;1-8(2)11-5-6-12-13-9(3)10(4)14(12)7-11;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;2*1-7(2)8-3-4-9-10-6-11-12(9)5-8;;;;/h6-7,10-11H,8-9H2,1-5H3;5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-5,7-8,13H,3,6H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3;4*1H4
InChIKeyUBHNTVDPHPJIMB-UHFFFAOYSA-N
MW3279.69 g/mol
LogP53.04
Rot. Bonds22

About tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)

tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) (PubChem CID 161044395) has the molecular formula C204H269N33O4S and a molecular weight of 3279.69 g/mol. Its IUPAC name is tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine).

Molecular Properties

Compound Nametert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)
PubChem CID161044395
Molecular FormulaC204H269N33O4S
Molecular Weight3279.69 g/mol
Exact Mass3277.16
IUPAC Nametert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)
SMILESC.C.C.C.C=C1Cc2cc(C(C)C)ccc2N1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncc(CN(C)C)n2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cnc2nccn2c1.CCOC(=O)c1cn2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cn2c1C
InChIInChI=1S/C16H23NO2.C13H19N3.C13H16N2O2.C12H16N2.2C12H15N.2C11H14N2.C11H15N.2C11H13N.3C10H12N2.C10H11NS.3C9H11N3.4CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-10(2)11-5-6-13-14-7-12(9-15(3)4)16(13)8-11;1-4-17-13(16)11-8-15-7-10(9(2)3)5-6-12(15)14-11;1-8(2)11-5-6-12-13-9(3)10(4)14(12)7-11;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;2*1-7(2)8-3-4-9-10-6-11-12(9)5-8;;;;/h6-7,10-11H,8-9H2,1-5H3;5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-5,7-8,13H,3,6H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3;4*1H4
InChIKeyUBHNTVDPHPJIMB-UHFFFAOYSA-N
XLogP53.04
TPSA385.31 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003279.69
LogP ≤ 553.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) with MolForge

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Related Compounds

3-Isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
CID 157610864
N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 158713177
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrazolo[1,5-a]pyrimidin-6-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyridin-3-yl-9H-pyrimido[4,5-b]indole-2,8-diamine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate
CID 159123802
N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 159474185
tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yltetrazolo[1,5-a]pyridine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 159637373
4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-phenyl-9H-pyrimido[4,5-b]indole-2,8-diamine;4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine;ethyl 2-[[4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-(methylamino)-9H-pyrimido[4,5-b]indol-2-yl]amino]-1,3-thiazole-4-carboxylate
CID 160240012
N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
CID 160634732
N-(2-aminoethyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;methyl 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 161031595
5-N-(1,3-benzothiazol-2-yl)-2-N,2-N-diethyl-1,3,4-thiadiazole-2,5-diamine;3,3-dimethyl-2-(pyridin-2-ylmethylidene)-1H-indole;ethyl 2-(1,3-benzothiazol-2-ylamino)-1,3-thiazole-4-carboxylate;7-ethyl-N-(7-ethylpurin-8-yl)purin-8-amine;2-[(2E)-2-[[1-(2-hydroxyethyl)benzimidazol-2-yl]methylidene]-3H-benzimidazol-1-yl]ethanol;N-pyridin-2-yl-1,3-benzothiazol-2-amine;N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine;2-(pyridin-2-ylmethylidene)-3H-1,3-thiazole;N-pyridin-2-yl-1,3-thiazol-2-amine;2-[(Z)-pyrrolidin-2-ylidenemethyl]-1,3-benzothiazole;2-[(E)-1,3-thiazolidin-2-ylidenemethyl]-1,3-benzothiazole
CID 161033483
3-(2-amino-3H-benzimidazol-5-yl)-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-4-amine;N-[6-[4-amino-1-[[2-(4-propan-2-ylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-(1H-indol-6-yl)-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 161529398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)?
The IUPAC name of tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) (CID 161044395) is tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine).
What is the SMILES notation for tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)?
The canonical SMILES for tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) is C.C.C.C.C=C1Cc2cc(C(C)C)ccc2N1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncc(CN(C)C)n2c1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cnc2nccn2c1.CCOC(=O)c1cn2cc(C(C)C)ccc2n1.Cc1nc2ccc(C(C)C)cn2c1C.
What is the InChIKey of tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)?
The InChIKey is UBHNTVDPHPJIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.C13H19N3.C13H16N2O2.C12H16N2.2C12H15N.2C11H14N2.C11H15N.2C11H13N.3C10H12N2.C10H11NS.3C9H11N3.4CH4/c1-11(2)12-6-7-14-13(10-12)8-9-17(14)15(18)19-16(3,4)5;1-10(2)11-5-6-13-14-7-12(9-15(3)4)16(13)8-11;1-4-17-13(16)11-8-15-7-10(9(2)3)5-6-12(15)14-11;1-8(2)11-5-6-12-13-9(3)10(4)14(12)7-11;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;3*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;2*1-7(2)8-3-4-9-10-6-11-12(9)5-8;;;;/h6-7,10-11H,8-9H2,1-5H3;5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;5-8H,1-4H3;4-5,7-8,13H,3,6H2,1-2H3;4-9H,1-3H3;2*4-8H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4*3-7H,1-2H3;4*1H4.
What are the key properties of tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine)?
tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) has a molecular weight of 3279.69 g/mol, XLogP of 53.04, 22 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;methane;2-methylidene-5-propan-2-yl-1,3-dihydroindole;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine) is sourced from PubChem (CID 161044395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).