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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene

C197H257Cl2N39O3S2 — CID 167682167

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene
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)c1cccs1.CC(C)c1ccnc(N)c1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1cc(C(C)C)cc(N)n1.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H11N3.C9H10N2S.2C9H14N2.C8H12N2.C7H10S/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)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-3-4-9(5-10)11-6-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8-7/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,(H,11,12);3-6H,1-2H3;4-6H,1-3H3,(H2,10,11);3-4,6-7H,5,10H2,1-2H3;3-6H,1-2H3,(H2,9,10);3-6H,1-2H3
InChIKeyVRVLUWVIGFHQHD-UHFFFAOYSA-N
MW3354.53 g/mol
LogP50.08
Rot. Bonds24

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene (PubChem CID 167682167) has the molecular formula C197H257Cl2N39O3S2 and a molecular weight of 3354.53 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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene.

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene
PubChem CID167682167
Molecular FormulaC197H257Cl2N39O3S2
Molecular Weight3354.53 g/mol
Exact Mass3351.00
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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene
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)c1cccs1.CC(C)c1ccnc(N)c1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1cc(C(C)C)cc(N)n1.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H11N3.C9H10N2S.2C9H14N2.C8H12N2.C7H10S/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)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-3-4-9(5-10)11-6-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8-7/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,(H,11,12);3-6H,1-2H3;4-6H,1-3H3,(H2,10,11);3-4,6-7H,5,10H2,1-2H3;3-6H,1-2H3,(H2,9,10);3-6H,1-2H3
InChIKeyVRVLUWVIGFHQHD-UHFFFAOYSA-N
XLogP50.08
TPSA572.88 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.53
LogP ≤ 550.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene with MolForge

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Related Compounds

cumene;methane;1-methyl-2-propan-2-ylbenzimidazole;bis(2-propan-2-yl-1H-benzimidazole);bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylpyrazine;tetrakis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;tris(2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine)
CID 160848703
ethane;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 158715890
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157370607
cumene;2,3-dimethylbutane;ethane;propan-2-ylcyclopropane;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;6-propan-2-ylfuro[3,2-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(2-propan-2-ylpyrazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 162073160
5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(2,2,2-trifluoroethyl)pyridine
CID 159749726
(3aR,7aS)-2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;4-bromo-2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;5-bromo-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-propan-2-yl-1,3-thiazole;5-chloro-2-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4,6-difluoro-2-propan-2-yl-1H-benzimidazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;6-methyl-2-propan-2-yl-1H-benzimidazole;1-methyl-5-propan-2-yltetrazole;bis(5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole);methyl 2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;4-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(2,2,2-trifluoroethyl)-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;4,5,6,7-tetrafluoro-2-propan-2-yl-1H-benzimidazole
CID 158608028
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159787214
1-bromo-4-methyl-2-propan-2-ylbenzene;1-bromo-4-propan-2-ylbenzene;3-tert-butyl-1-methyl-5-propan-2-ylpyrazole;1-(chloromethyl)-4-propan-2-ylbenzene;2-chloro-4-nitro-1-propan-2-ylbenzene;3-chloro-4-propan-2-ylaniline;1,3-dimethyl-5-propan-2-ylpyrazole;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-methyl-1,2-oxazole;methyl 2-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate;2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157310132
3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
CID 159957534
3-methyl-2-propan-2-ylimidazo[4,5-b]pyridine;1-methyl-2-(3-propan-2-ylphenyl)benzimidazole;1-methyl-2-(4-propan-2-ylphenyl)benzimidazole;3-methyl-2-(3-propan-2-ylphenyl)imidazo[4,5-b]pyridine;3-methyl-2-(4-propan-2-ylphenyl)imidazo[4,5-b]pyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-(3-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(3-propan-2-ylphenyl)-1,3-benzoxazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole
CID 165078138
1-benzofuran;1,2,3-benzothiadiazole;1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);pentadecakis(2-methylpropane);1-methyl-2-propan-2-ylbenzimidazole;1-methyl-3-propan-2-ylindazole;2-methyl-1-propan-2-ylisoindole;1-methylpyrrolidine;oxolane;2-propan-2-yl-3a,7a-dihydro-3H-isoindol-1-one;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-1,2-benzoxazole;thiolane
CID 157304620
2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;methane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 160822998

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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene?
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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene (CID 167682167) 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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene.
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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene?
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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene 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)c1cccs1.CC(C)c1ccnc(N)c1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2n1C.CC(C)c1nc2cnccc2n1C.CC(C)c1nc2cnccc2s1.COc1cc(C(C)C)ccc1CN.Cc1cc(C(C)C)cc(N)n1.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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene?
The InChIKey is VRVLUWVIGFHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2C11H13ClN2.C11H14N2.C11H17NO.3C10H13N3.C10H12N2O.3C10H12N2.C10H11NO.C10H15N.C9H11N3.C9H10N2S.2C9H14N2.C8H12N2.C7H10S/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)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-3-4-9(5-10)11-6-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8-7/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,(H,11,12);3-6H,1-2H3;4-6H,1-3H3,(H2,10,11);3-4,6-7H,5,10H2,1-2H3;3-6H,1-2H3,(H2,9,10);3-6H,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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene?
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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene has a molecular weight of 3354.53 g/mol, XLogP of 50.08, 24 rotatable bonds, 10 hydrogen bond donors, and 40 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-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(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;2-propan-2-ylthiophene is sourced from PubChem (CID 167682167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).