1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C147H149Cl2F12N37O15 — CID 162235611

IUPAC1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)CCNc1nccc(-c2c(-c3ccc(F)c(C(F)(F)F)c3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(OC(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(F)c3)c2-c2ccncn2)CC1
InChIInChI=1S/C25H29F4N7O2.C21H20F3N5O3.C21H20F3N5O2.2C20H20ClN5O2.2C20H20FN5O2/c1-35(2)12-9-31-24-30-8-5-19(32-24)21-22(15-6-10-36(11-7-15)20(38)14-37)33-34-23(21)16-3-4-18(26)17(13-16)25(27,28)29;22-21(23,24)32-15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;22-21(23,24)15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27/h3-5,8,13,15,37H,6-7,9-12,14H2,1-2H3,(H,33,34)(H,30,31,32);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25)
InChIKeyZVZZLFCGPKRENX-UHFFFAOYSA-N
MW2972.93 g/mol
LogP20.26
Rot. Bonds33

About 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 162235611) has the molecular formula C147H149Cl2F12N37O15 and a molecular weight of 2972.93 g/mol. Its IUPAC name is 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID162235611
Molecular FormulaC147H149Cl2F12N37O15
Molecular Weight2972.93 g/mol
Exact Mass2970.12
IUPAC Name1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCN(C)CCNc1nccc(-c2c(-c3ccc(F)c(C(F)(F)F)c3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(OC(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(F)c3)c2-c2ccncn2)CC1
InChIInChI=1S/C25H29F4N7O2.C21H20F3N5O3.C21H20F3N5O2.2C20H20ClN5O2.2C20H20FN5O2/c1-35(2)12-9-31-24-30-8-5-19(32-24)21-22(15-6-10-36(11-7-15)20(38)14-37)33-34-23(21)16-3-4-18(26)17(13-16)25(27,28)29;22-21(23,24)32-15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;22-21(23,24)15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27/h3-5,8,13,15,37H,6-7,9-12,14H2,1-2H3,(H,33,34)(H,30,31,32);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25)
InChIKeyZVZZLFCGPKRENX-UHFFFAOYSA-N
XLogP20.26
TPSA689.50 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002972.93
LogP ≤ 520.26
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-(4-chloro-2-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-ethylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 157226171
4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(1H-inden-5-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 157342880
1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 157491418
4-[2-(1-aminopropan-2-ylamino)pyrimidin-4-yl]-1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]pyridin-2-one;1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-methyl-1H-inden-5-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[2-(3-methylphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 158025732
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 158141761
1-[4-[3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-4-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;4-[5-[1-(2-hydroxyacetyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazol-3-yl]benzonitrile
CID 158431938
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-4-pyrrolidin-1-ylbutan-1-one;(2R)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;ethyl 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidine-1-carboxylate;ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate;propan-2-yl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate
CID 158549203
1-[4-[3-(3-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-5-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(5-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 158644925
1-[4-[3-(4-chloro-3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 159007698
1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 159253337
(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide
CID 159347882
1-[4-[4-(2-aminopyrimidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 160723400

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 162235611) is 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is CN(C)CCNc1nccc(-c2c(-c3ccc(F)c(C(F)(F)F)c3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(OC(F)(F)F)cc3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(F)c3)c2-c2ccncn2)CC1.
What is the InChIKey of 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is ZVZZLFCGPKRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N7O2.C21H20F3N5O3.C21H20F3N5O2.2C20H20ClN5O2.2C20H20FN5O2/c1-35(2)12-9-31-24-30-8-5-19(32-24)21-22(15-6-10-36(11-7-15)20(38)14-37)33-34-23(21)16-3-4-18(26)17(13-16)25(27,28)29;22-21(23,24)32-15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;22-21(23,24)15-3-1-13(2-4-15)19-18(16-5-8-25-12-26-16)20(28-27-19)14-6-9-29(10-7-14)17(31)11-30;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27;21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27;21-15-3-1-2-14(10-15)20-18(16-4-7-22-12-23-16)19(24-25-20)13-5-8-26(9-6-13)17(28)11-27/h3-5,8,13,15,37H,6-7,9-12,14H2,1-2H3,(H,33,34)(H,30,31,32);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,30H,6-7,9-11H2,(H,27,28);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25);1-5,8,12,14,27H,6-7,9-11H2,(H,24,25);1-4,7,10,12-13,27H,5-6,8-9,11H2,(H,24,25).
What are the key properties of 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 2972.93 g/mol, XLogP of 20.26, 33 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 162235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).