2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C126H159N27O11 — CID 159646398

IUPAC2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ncn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.COc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC)c(C)c4)cc3C(C)C)CC2)c1
InChIInChI=1S/C26H33N5O3.C26H33N5O2.C25H32N6O2.C25H31N5O2.C24H30N6O2/c1-18(2)23-16-22(20-6-7-24(34-5)19(3)14-20)28-31(23)17-26(32)30-12-10-29(11-13-30)25-15-21(33-4)8-9-27-25;1-18(2)23-16-22(21-6-7-24(33-5)20(4)15-21)28-31(23)17-26(32)30-12-10-29(11-13-30)25-14-19(3)8-9-27-25;1-17(2)22-14-21(20-6-7-23(33-5)18(3)12-20)28-31(22)15-25(32)30-10-8-29(9-11-30)24-13-19(4)26-16-27-24;1-18(2)22-16-21(20-8-9-23(32-4)19(3)15-20)27-30(22)17-25(31)29-13-11-28(12-14-29)24-7-5-6-10-26-24;1-17(2)21-15-20(19-6-7-22(32-4)18(3)14-19)27-30(21)16-23(31)28-10-12-29(13-11-28)24-25-8-5-9-26-24/h6-9,14-16,18H,10-13,17H2,1-5H3;6-9,14-16,18H,10-13,17H2,1-5H3;6-7,12-14,16-17H,8-11,15H2,1-5H3;5-10,15-16,18H,11-14,17H2,1-4H3;5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyMQZZELJUBFGRAQ-UHFFFAOYSA-N
MW2227.84 g/mol
LogP18.09
Rot. Bonds31

About 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 159646398) has the molecular formula C126H159N27O11 and a molecular weight of 2227.84 g/mol. Its IUPAC name is 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID159646398
Molecular FormulaC126H159N27O11
Molecular Weight2227.84 g/mol
Exact Mass2226.27
IUPAC Name2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ncn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.COc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC)c(C)c4)cc3C(C)C)CC2)c1
InChIInChI=1S/C26H33N5O3.C26H33N5O2.C25H32N6O2.C25H31N5O2.C24H30N6O2/c1-18(2)23-16-22(20-6-7-24(34-5)19(3)14-20)28-31(23)17-26(32)30-12-10-29(11-13-30)25-15-21(33-4)8-9-27-25;1-18(2)23-16-22(21-6-7-24(33-5)20(4)15-21)28-31(23)17-26(32)30-12-10-29(11-13-30)25-14-19(3)8-9-27-25;1-17(2)22-14-21(20-6-7-23(33-5)18(3)12-20)28-31(22)15-25(32)30-10-8-29(9-11-30)24-13-19(4)26-16-27-24;1-18(2)22-16-21(20-8-9-23(32-4)19(3)15-20)27-30(22)17-25(31)29-13-11-28(12-14-29)24-7-5-6-10-26-24;1-17(2)21-15-20(19-6-7-22(32-4)18(3)14-19)27-30(21)16-23(31)28-10-12-29(13-11-28)24-25-8-5-9-26-24/h6-9,14-16,18H,10-13,17H2,1-5H3;6-9,14-16,18H,10-13,17H2,1-5H3;6-7,12-14,16-17H,8-11,15H2,1-5H3;5-10,15-16,18H,11-14,17H2,1-4H3;5-9,14-15,17H,10-13,16H2,1-4H3
InChIKeyMQZZELJUBFGRAQ-UHFFFAOYSA-N
XLogP18.09
TPSA352.46 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.84
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone 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

1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
1-[3-[2-[[1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-6-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-4-yl]-4-methylpiperazin-1-yl]-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1-[[4-[[5-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]pyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]ethanone
CID 123374972
2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157121825
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-(3,5-Diphenylpyrazol-1-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158156416
2-[2-(difluoromethoxy)phenyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]purin-8-one
CID 158234807
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-morpholin-4-ylpropanamide;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158575134
2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(3-methoxy-2-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-methyl-2-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158816999
3-tert-butyl-1-methylpyrrole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylimidazole;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;3-propan-2-ylpyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 160084574
4-[[3-(1,1-Difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine;1-[4-[2-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]piperazin-1-yl]ethanone;2-(3,5-dimethylpyrazol-1-yl)-4-(6-methylpyridazin-3-yl)oxy-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine;6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carbonitrile
CID 160230235
[5-(4-Methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methoxypiperidin-1-yl)methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 160550287
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;2-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-6-phenylimidazo[1,2-a]pyridine;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine;6-phenylimidazo[1,2-a]pyridine;5-phenylpyrazolo[1,5-a]pyrimidine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 160674116

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 159646398) is 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4cc(C)ncn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C.COc1ccc(-c2cc(C(C)C)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)cc1C.COc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(OC)c(C)c4)cc3C(C)C)CC2)c1.
What is the InChIKey of 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MQZZELJUBFGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3.C26H33N5O2.C25H32N6O2.C25H31N5O2.C24H30N6O2/c1-18(2)23-16-22(20-6-7-24(34-5)19(3)14-20)28-31(23)17-26(32)30-12-10-29(11-13-30)25-15-21(33-4)8-9-27-25;1-18(2)23-16-22(21-6-7-24(33-5)20(4)15-21)28-31(23)17-26(32)30-12-10-29(11-13-30)25-14-19(3)8-9-27-25;1-17(2)22-14-21(20-6-7-23(33-5)18(3)12-20)28-31(22)15-25(32)30-10-8-29(9-11-30)24-13-19(4)26-16-27-24;1-18(2)22-16-21(20-8-9-23(32-4)19(3)15-20)27-30(22)17-25(31)29-13-11-28(12-14-29)24-7-5-6-10-26-24;1-17(2)21-15-20(19-6-7-22(32-4)18(3)14-19)27-30(21)16-23(31)28-10-12-29(13-11-28)24-25-8-5-9-26-24/h6-9,14-16,18H,10-13,17H2,1-5H3;6-9,14-16,18H,10-13,17H2,1-5H3;6-7,12-14,16-17H,8-11,15H2,1-5H3;5-10,15-16,18H,11-14,17H2,1-4H3;5-9,14-15,17H,10-13,16H2,1-4H3.
What are the key properties of 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2227.84 g/mol, XLogP of 18.09, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159646398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).