bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

C164H210Cl2N32O3S — CID 167612117

IUPACbis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN)nc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H10N2S.C9H14N2/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;2*1-7(2)8-4-5-10-9(6-8)11(12)13-14(10)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10(7-12)11(6-9)13-3;1-7(2)10-12-8-6-11-5-4-9(8)13(10)3;1-7(2)10-12-8-4-5-11-6-9(8)13(10)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-7(2)8-3-4-9(5-10)11-6-8/h5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6,8H,7,12H2,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;3-6H,1-2H3;3-4,6-7H,5,10H2,1-2H3
InChIKeyLEYKWCBPHCLPDT-UHFFFAOYSA-N
MW2780.68 g/mol
LogP41.25
Rot. Bonds20

About bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine

bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 167612117) has the molecular formula C164H210Cl2N32O3S and a molecular weight of 2780.68 g/mol. Its IUPAC name is bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Namebis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID167612117
Molecular FormulaC164H210Cl2N32O3S
Molecular Weight2780.68 g/mol
Exact Mass2777.64
IUPAC Namebis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN)nc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H10N2S.C9H14N2/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;2*1-7(2)8-4-5-10-9(6-8)11(12)13-14(10)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10(7-12)11(6-9)13-3;1-7(2)10-12-8-6-11-5-4-9(8)13(10)3;1-7(2)10-12-8-4-5-11-6-9(8)13(10)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-7(2)8-3-4-9(5-10)11-6-8/h5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6,8H,7,12H2,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;3-6H,1-2H3;3-4,6-7H,5,10H2,1-2H3
InChIKeyLEYKWCBPHCLPDT-UHFFFAOYSA-N
XLogP41.25
TPSA453.49 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002780.68
LogP ≤ 541.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158813377
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole;2-(4-chlorophenyl)-5-methyl-1,3-thiazole;1,3-dimethylindole;1,3-dimethylpyrrolo[3,2-b]pyridine;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-ethoxy-3-propan-2-ylpyridine;7-methoxy-3-methyl-1H-indole;4-methoxy-2-methylquinoline;1-(4-methoxyphenyl)-4,5-dimethylpyrazole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;3-methyl-5-phenylpyridine;4-methyl-2-piperidin-1-ylpyridine;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 160929028
2-chloro-5-propan-2-ylfuran;2-fluoro-4-propan-2-ylbenzonitrile;2-fluoro-5-propan-2-ylbenzonitrile;methane;2-methoxy-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylbenzonitrile;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-3H-benzimidazol-1-ium-1-carbonitrile;6-propan-2-yl-1,3-benzothiazole;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-5-pyrazol-1-ylpyridine;5-propan-2-yl-2-pyrazol-1-ylpyridine;2-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthiophene-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 161737560
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;3-(1H-imidazol-5-yl)pyridine;4-(1H-imidazol-5-yl)pyridine;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161894380
5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
CID 165043559
1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;bis(5-methyl-1H-pyrazolo[5,4-c]pyridine);6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157107655
5-methyl-2H-benzotriazole;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157153973
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-1H-indol-7-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157201614
CID 157242582
CID 157242582
4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde
CID 157318987
4-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[3,2-d]pyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 157323746

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 167612117) is bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cnccc2o1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc(CN)nc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)c(Cl)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1nn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is LEYKWCBPHCLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H10N2S.C9H14N2/c1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;2*1-7(2)8-4-5-10-9(6-8)11(12)13-14(10)3;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10(7-12)11(6-9)13-3;1-7(2)10-12-8-6-11-5-4-9(8)13(10)3;1-7(2)10-12-8-4-5-11-6-9(8)13(10)3;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-8(2)10-5-3-9(7-11)4-6-10;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-7(2)8-3-4-9(5-10)11-6-8/h5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4-6,8H,7,12H2,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;3-6,8H,7,11H2,1-2H3;3-6H,1-2H3;3-4,6-7H,5,10H2,1-2H3.
What are the key properties of bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 2780.68 g/mol, XLogP of 41.25, 20 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 167612117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).