1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

C155H139Cl2F2N31O3S — CID 157477737

IUPAC1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
SMILESC1=CC(c2ccccn2)N=C1.C1=CC(c2ccncc2)N=C1.C1=CN=C(c2cccnc2)C1.COc1cccc(-n2cccn2)c1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1cccc(-n2cccn2)c1.Clc1cccc(-n2cccn2)c1.Clc1ccccc1-n1cccn1.Fc1ccc(-c2ccccn2)cc1F.c1cc2c3c(cccc3c1)CNC2.c1ccc(-n2ccnc2)cc1.c1ccc2c(c1)CCN2.c1cnc2c(c1)CNCC2.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2ncco2)c1
InChIInChI=1S/C12H11N.C11H7F2N.C10H10N2O.3C10H10N2.2C9H7ClN2.4C9H8N2.2C8H6N2O.C8H10N2.C8H9N.C6H4N2S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-3-8(7-10-5-1)9-4-2-6-11-9;1-2-9(11-5-1)8-3-6-10-7-4-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-7(6-9-4-1)8-3-5-11-10-8;1-2-7(6-9-3-1)8-10-4-5-11-8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-6-5(1)7-2-3-8-6/h1-6,13H,7-8H2;1-7H;2-8H,1H3;3*2-8H,1H3;2*1-7H;1-3,5-7H,4H2;2*1-7,9H;1-8H;2*1-6H;1-2,4,9H,3,5-6H2;1-4,9H,5-6H2;1-4H
InChIKeyBVUHWKAENQUFFH-UHFFFAOYSA-N
MW2625.00 g/mol
LogP33.68
Rot. Bonds14

About 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (PubChem CID 157477737) has the molecular formula C155H139Cl2F2N31O3S and a molecular weight of 2625.00 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
PubChem CID157477737
Molecular FormulaC155H139Cl2F2N31O3S
Molecular Weight2625.00 g/mol
Exact Mass2622.07
IUPAC Name1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
SMILESC1=CC(c2ccccn2)N=C1.C1=CC(c2ccncc2)N=C1.C1=CN=C(c2cccnc2)C1.COc1cccc(-n2cccn2)c1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1cccc(-n2cccn2)c1.Clc1cccc(-n2cccn2)c1.Clc1ccccc1-n1cccn1.Fc1ccc(-c2ccccn2)cc1F.c1cc2c3c(cccc3c1)CNC2.c1ccc(-n2ccnc2)cc1.c1ccc2c(c1)CCN2.c1cnc2c(c1)CNCC2.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2ncco2)c1
InChIInChI=1S/C12H11N.C11H7F2N.C10H10N2O.3C10H10N2.2C9H7ClN2.4C9H8N2.2C8H6N2O.C8H10N2.C8H9N.C6H4N2S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-3-8(7-10-5-1)9-4-2-6-11-9;1-2-9(11-5-1)8-3-6-10-7-4-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-7(6-9-4-1)8-3-5-11-10-8;1-2-7(6-9-3-1)8-10-4-5-11-8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-6-5(1)7-2-3-8-6/h1-6,13H,7-8H2;1-7H;2-8H,1H3;3*2-8H,1H3;2*1-7H;1-3,5-7H,4H2;2*1-7,9H;1-8H;2*1-6H;1-2,4,9H,3,5-6H2;1-4,9H,5-6H2;1-4H
InChIKeyBVUHWKAENQUFFH-UHFFFAOYSA-N
XLogP33.68
TPSA375.21 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds14
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.00
LogP ≤ 533.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine with MolForge

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Related Compounds

6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157085973
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;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 157674447
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
CID 158592718
CID 158592718
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-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
CID 159991720
CID 159991720
1H-benzimidazole;6-chloroimidazo[1,2-a]pyridine;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;methane;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;1-propylpyrazole;5-pyridin-3-yl-1,2,4-oxadiazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 160134942
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
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 161844490

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?
The IUPAC name of 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (CID 157477737) is 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.
What is the SMILES notation for 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?
The canonical SMILES for 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is C1=CC(c2ccccn2)N=C1.C1=CC(c2ccncc2)N=C1.C1=CN=C(c2cccnc2)C1.COc1cccc(-n2cccn2)c1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1cccc(-n2cccn2)c1.Clc1cccc(-n2cccn2)c1.Clc1ccccc1-n1cccn1.Fc1ccc(-c2ccccn2)cc1F.c1cc2c3c(cccc3c1)CNC2.c1ccc(-n2ccnc2)cc1.c1ccc2c(c1)CCN2.c1cnc2c(c1)CNCC2.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2ncco2)c1.
What is the InChIKey of 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?
The InChIKey is BVUHWKAENQUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H7F2N.C10H10N2O.3C10H10N2.2C9H7ClN2.4C9H8N2.2C8H6N2O.C8H10N2.C8H9N.C6H4N2S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-4-1-2-5-9(8)12-7-3-6-11-12;1-3-8(7-10-5-1)9-4-2-6-11-9;1-2-9(11-5-1)8-3-6-10-7-4-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-9(5-3-1)11-7-6-10-8-11;1-2-7(6-9-4-1)8-3-5-11-10-8;1-2-7(6-9-3-1)8-10-4-5-11-8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-4-9-6-5(1)7-2-3-8-6/h1-6,13H,7-8H2;1-7H;2-8H,1H3;3*2-8H,1H3;2*1-7H;1-3,5-7H,4H2;2*1-7,9H;1-8H;2*1-6H;1-2,4,9H,3,5-6H2;1-4,9H,5-6H2;1-4H.
What are the key properties of 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?
1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine has a molecular weight of 2625.00 g/mol, XLogP of 33.68, 14 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)pyrazole;1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3-methoxyphenyl)pyrazole;1-(4-methylphenyl)imidazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1-phenylimidazole;2-pyridin-3-yl-1,3-oxazole;3-pyridin-3-yl-1,2-oxazole;2-(2H-pyrrol-2-yl)pyridine;3-(3H-pyrrol-2-yl)pyridine;4-(2H-pyrrol-2-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is sourced from PubChem (CID 157477737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).