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

C152H170Cl2F3N21O6S2 — CID 160929028

IUPAC1-[(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
SMILESCC(C)c1cccnc1N1CCCC1.CCOc1ncccc1C(C)C.COc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1ccc(-n2ncc(C)c2C)cc1.COc1cccc2c(C)c[nH]c12.Cc1cc(C)n(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc12.Cc1cn(C)c2cccnc12.Cc1cnc(-c2ccc(Cl)cc2)s1.Cc1cncc(-c2ccccc2)c1.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H13ClN2.C12H14N2O.C12H18N2.C12H11N.C11H10F3N3.C11H16N2.C11H11NO2.C11H11NO.C11H11NS.C10H8ClNS.C10H11NO.C10H15NO.C10H11N.C9H10N2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11;1-9-8-13-14(10(9)2)11-4-6-12(15-3)7-5-11;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-7-6-12-10(13-7)8-2-4-9(11)5-3-8;1-7-6-11-10-8(7)4-3-5-9(10)12-2;1-4-12-10-9(8(2)3)6-5-7-11-10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-6-11(2)8-4-3-5-10-9(7)8/h3-7H,8H2,1-2H3;4-8H,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2-9H,1H3;3-6H,1-2H3;5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;5-8H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeySTABNORRDMJGMF-UHFFFAOYSA-N
MW2579.21 g/mol
LogP38.71
Rot. Bonds18

About 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

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 (PubChem CID 160929028) has the molecular formula C152H170Cl2F3N21O6S2 and a molecular weight of 2579.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID160929028
Molecular FormulaC152H170Cl2F3N21O6S2
Molecular Weight2579.21 g/mol
Exact Mass2576.24
IUPAC Name1-[(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
SMILESCC(C)c1cccnc1N1CCCC1.CCOc1ncccc1C(C)C.COc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1ccc(-n2ncc(C)c2C)cc1.COc1cccc2c(C)c[nH]c12.Cc1cc(C)n(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc12.Cc1cn(C)c2cccnc12.Cc1cnc(-c2ccc(Cl)cc2)s1.Cc1cncc(-c2ccccc2)c1.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H13ClN2.C12H14N2O.C12H18N2.C12H11N.C11H10F3N3.C11H16N2.C11H11NO2.C11H11NO.C11H11NS.C10H8ClNS.C10H11NO.C10H15NO.C10H11N.C9H10N2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11;1-9-8-13-14(10(9)2)11-4-6-12(15-3)7-5-11;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-7-6-12-10(13-7)8-2-4-9(11)5-3-8;1-7-6-11-10-8(7)4-3-5-9(10)12-2;1-4-12-10-9(8(2)3)6-5-7-11-10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-6-11(2)8-4-3-5-10-9(7)8/h3-7H,8H2,1-2H3;4-8H,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2-9H,1H3;3-6H,1-2H3;5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;5-8H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeySTABNORRDMJGMF-UHFFFAOYSA-N
XLogP38.71
TPSA273.78 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002579.21
LogP ≤ 538.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;propanenitrile;3-propyl-1H-indole
CID 157784984
1-benzyl-4-methylpyrazole;2-chloro-4,6-dimethylpyrimidine;4-chloro-2,6-dimethylpyrimidine;4-chloro-6-methyl-2-methylsulfanylpyrimidine;1-chloro-3-methylnaphthalene;2-chloro-4-methylpyrimidine;4-chloro-2-methylpyrimidine;4-chloro-6-methylpyrimidine;2,4-dimethoxy-6-methylpyrimidine;1,2-dimethylbenzimidazole;3,4-dimethyl-1,2,5-oxadiazole;6,9-dimethylpurine;1,4-dimethylpyrazole;methane;2-methoxy-7-methylnaphthalene;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;7-methylfuro[2,3-c]pyridine;4-methyl-1H-indole;7-methyl-1H-indole;1-methylisoquinoline;6-methyl-2-methylsulfanylpyrimidin-4-amine;4-methyl-2-methylsulfanylpyrimidine;4-methyl-1-propylimidazo[4,5-c]pyridine;6-methyl-7H-purine;2-methylpyrimidine;4-methylquinazoline;2-methylquinoline;2-methyl-1,3-thiazole;4-methylthieno[2,3-d]pyrimidine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;2,3,5-trimethylpyrazine
CID 158316999
N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole
CID 158399552
N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-dihydrotetrazole;3-methylpyridine;9-methyl-9H-xanthene;propanenitrile;3-propyl-1H-indole
CID 158965508
CID 159991720
CID 159991720
3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3-chloro-2-pentyl-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;propanenitrile;3-propyl-1H-indole
CID 160124446
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;3-(4-chlorophenyl)-5-methyl-1,2-oxazole;1-(2,4-dichlorophenyl)-3,5-dimethyl-1,2,4-triazole;1,3-dimethylquinolin-4-one;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-methyl-3-phenyl-1H-pyrazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;3-methyl-2-(trifluoromethyl)-1,8-naphthyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 160363792
2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;1,3-dimethylquinolin-4-one;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;4-methoxy-2-methylquinoline;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-5-(3-methylphenyl)-1,2-oxazole;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 160832141
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
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;5-tert-butyl-3H-pyrazolo[1,5-a]pyridin-8-ium;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;undecakis(2,2-dimethylpropane);1-(2,2-dimethylpropyl)indazole;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;2H-pyrrole
CID 157369125
N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[8-fluoro-6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-methyl-1,3-thiazole;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole
CID 157578913
3-chloro-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylindazole;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-1H-benzimidazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;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 157713547

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccnc1N1CCCC1.CCOc1ncccc1C(C)C.COc1cc(C)nc2ccccc12.COc1ccc(-c2cc(C)no2)cc1.COc1ccc(-n2ncc(C)c2C)cc1.COc1cccc2c(C)c[nH]c12.Cc1cc(C)n(Cc2ccc(Cl)cc2)n1.Cc1ccc(-c2nc(C)cs2)cc1.Cc1ccnc(N2CCCCC2)c1.Cc1cn(C)c2ccccc12.Cc1cn(C)c2cccnc12.Cc1cnc(-c2ccc(Cl)cc2)s1.Cc1cncc(-c2ccccc2)c1.Cc1nc(C)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 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?
The InChIKey is STABNORRDMJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2.C12H14N2O.C12H18N2.C12H11N.C11H10F3N3.C11H16N2.C11H11NO2.C11H11NO.C11H11NS.C10H8ClNS.C10H11NO.C10H15NO.C10H11N.C9H10N2/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11;1-9-8-13-14(10(9)2)11-4-6-12(15-3)7-5-11;1-10(2)11-6-5-7-13-12(11)14-8-3-4-9-14;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-7-15-8(2)17(16-7)10-5-3-4-9(6-10)11(12,13)14;1-10-5-6-12-11(9-10)13-7-3-2-4-8-13;1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9;1-8-7-11(13-2)9-5-3-4-6-10(9)12-8;1-8-3-5-10(6-4-8)11-12-9(2)7-13-11;1-7-6-12-10(13-7)8-2-4-9(11)5-3-8;1-7-6-11-10-8(7)4-3-5-9(10)12-2;1-4-12-10-9(8(2)3)6-5-7-11-10;1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-6-11(2)8-4-3-5-10-9(7)8/h3-7H,8H2,1-2H3;4-8H,1-3H3;5-7,10H,3-4,8-9H2,1-2H3;2-9H,1H3;3-6H,1-2H3;5-6,9H,2-4,7-8H2,1H3;3-7H,1-2H3;2*3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;5-8H,4H2,1-3H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2579.21 g/mol, XLogP of 38.71, 18 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160929028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).