2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone

C132H159F5N28O7 — CID 158686905

IUPAC2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C(C)C)CC2)nc1.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)c1
InChIInChI=1S/C28H34FN5O.C27H33FN6O2.C27H32FN5O.C26H31FN6O.C24H29FN6O2/c1-20-10-11-30-27(16-20)32-12-14-33(15-13-32)28(35)19-34-26(22-6-4-3-5-7-22)18-25(31-34)23-8-9-24(29)21(2)17-23;1-19-14-21(8-9-22(19)28)23-15-24(20-6-4-3-5-7-20)34(31-23)17-27(35)33-12-10-32(11-13-33)25-16-26(36-2)30-18-29-25;1-20-17-22(10-11-23(20)28)24-18-25(21-7-3-2-4-8-21)33(30-24)19-27(34)32-15-13-31(14-16-32)26-9-5-6-12-29-26;1-19-16-21(8-9-22(19)27)23-17-24(20-6-3-2-4-7-20)33(30-23)18-25(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-16(2)22-12-21(18-5-6-20(25)17(3)11-18)28-31(22)15-23(32)29-7-9-30(10-8-29)24-26-13-19(33-4)14-27-24/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3;8-9,14-16,18,20H,3-7,10-13,17H2,1-2H3;5-6,9-12,17-18,21H,2-4,7-8,13-16,19H2,1H3;5,8-11,16-17,20H,2-4,6-7,12-15,18H2,1H3;5-6,11-14,16H,7-10,15H2,1-4H3
InChIKeyIFVXOUTXCJOMNW-UHFFFAOYSA-N
MW2344.90 g/mol
LogP21.53
Rot. Bonds27

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

2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 158686905) has the molecular formula C132H159F5N28O7 and a molecular weight of 2344.90 g/mol. Its IUPAC name is 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID158686905
Molecular FormulaC132H159F5N28O7
Molecular Weight2344.90 g/mol
Exact Mass2343.29
IUPAC Name2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C(C)C)CC2)nc1.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)c1
InChIInChI=1S/C28H34FN5O.C27H33FN6O2.C27H32FN5O.C26H31FN6O.C24H29FN6O2/c1-20-10-11-30-27(16-20)32-12-14-33(15-13-32)28(35)19-34-26(22-6-4-3-5-7-22)18-25(31-34)23-8-9-24(29)21(2)17-23;1-19-14-21(8-9-22(19)28)23-15-24(20-6-4-3-5-7-20)34(31-23)17-27(35)33-12-10-32(11-13-33)25-16-26(36-2)30-18-29-25;1-20-17-22(10-11-23(20)28)24-18-25(21-7-3-2-4-8-21)33(30-24)19-27(34)32-15-13-31(14-16-32)26-9-5-6-12-29-26;1-19-16-21(8-9-22(19)27)23-17-24(20-6-3-2-4-7-20)33(30-23)18-25(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-16(2)22-12-21(18-5-6-20(25)17(3)11-18)28-31(22)15-23(32)29-7-9-30(10-8-29)24-26-13-19(33-4)14-27-24/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3;8-9,14-16,18,20H,3-7,10-13,17H2,1-2H3;5-6,9-12,17-18,21H,2-4,7-8,13-16,19H2,1H3;5,8-11,16-17,20H,2-4,6-7,12-15,18H2,1H3;5-6,11-14,16H,7-10,15H2,1-4H3
InChIKeyIFVXOUTXCJOMNW-UHFFFAOYSA-N
XLogP21.53
TPSA328.43 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.90
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 157184423
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
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158437677
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159481976
7-[[6-(1,4-dimethylimidazol-2-yl)-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[4-methyl-1-(oxetan-3-yl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-(3-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160253218
7-[[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167635501
2-[5-Ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157313777
2-[3-[4-(Difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157326077
2-[3-(3,4-Dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 157348645
2-[3-(4-Fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-(4-fluoro-3-methoxyphenyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157355019
2-[3-(3-Chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 157369644
2-[5-Butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157398326

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone (CID 158686905) is 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)ncn1.COc1cnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C(C)C)CC2)nc1.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2cc(C3CCCCC3)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)cc3C3CCCCC3)CC2)c1.
What is the InChIKey of 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IFVXOUTXCJOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O.C27H33FN6O2.C27H32FN5O.C26H31FN6O.C24H29FN6O2/c1-20-10-11-30-27(16-20)32-12-14-33(15-13-32)28(35)19-34-26(22-6-4-3-5-7-22)18-25(31-34)23-8-9-24(29)21(2)17-23;1-19-14-21(8-9-22(19)28)23-15-24(20-6-4-3-5-7-20)34(31-23)17-27(35)33-12-10-32(11-13-33)25-16-26(36-2)30-18-29-25;1-20-17-22(10-11-23(20)28)24-18-25(21-7-3-2-4-8-21)33(30-24)19-27(34)32-15-13-31(14-16-32)26-9-5-6-12-29-26;1-19-16-21(8-9-22(19)27)23-17-24(20-6-3-2-4-7-20)33(30-23)18-25(34)31-12-14-32(15-13-31)26-28-10-5-11-29-26;1-16(2)22-12-21(18-5-6-20(25)17(3)11-18)28-31(22)15-23(32)29-7-9-30(10-8-29)24-26-13-19(33-4)14-27-24/h8-11,16-18,22H,3-7,12-15,19H2,1-2H3;8-9,14-16,18,20H,3-7,10-13,17H2,1-2H3;5-6,9-12,17-18,21H,2-4,7-8,13-16,19H2,1H3;5,8-11,16-17,20H,2-4,6-7,12-15,18H2,1H3;5-6,11-14,16H,7-10,15H2,1-4H3.
What are the key properties of 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone?
2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 2344.90 g/mol, XLogP of 21.53, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-ylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 158686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).