3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

C128H148Cl5FN34O2 — CID 159833226

IUPAC3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
SMILESCc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2ccc[nH]c2=O)n1.Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccccn5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cccnc5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccnnc5)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/2C27H31ClN8.C25H27ClFN9.C25H32ClN5O.C24H27ClN4O/c1-17-12-24(31-27-30-15-23(28)26(33-27)32-25-13-19(3)34-35-25)18(2)11-22(17)21-6-9-36(10-7-21)16-20-5-4-8-29-14-20;1-17-13-24(31-27-30-15-23(28)26(33-27)32-25-14-19(3)34-35-25)18(2)12-22(17)20-7-10-36(11-8-20)16-21-6-4-5-9-29-21;1-15-9-22(31-25-28-13-20(26)24(33-25)32-23-10-16(2)34-35-23)21(27)11-19(15)18-4-7-36(8-5-18)14-17-3-6-29-30-12-17;1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20;1-15-11-20(17-5-8-26-9-6-17)16(2)10-19(15)13-23-28-14-21(25)22(29-23)12-18-4-3-7-27-24(18)30/h4-5,8,11-15,21H,6-7,9-10,16H2,1-3H3,(H3,30,31,32,33,34,35);4-6,9,12-15,20H,7-8,10-11,16H2,1-3H3,(H3,30,31,32,33,34,35);3,6,9-13,18H,4-5,7-8,14H2,1-2H3,(H3,28,31,32,33,34,35);5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30);3-4,7,10-11,14,17,26H,5-6,8-9,12-13H2,1-2H3,(H,27,30)
InChIKeyNNSKBPRFUQXCIM-UHFFFAOYSA-N
MW2391.09 g/mol
LogP26.37
Rot. Bonds33

About 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (PubChem CID 159833226) has the molecular formula C128H148Cl5FN34O2 and a molecular weight of 2391.09 g/mol. Its IUPAC name is 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.

Molecular Properties

Compound Name3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
PubChem CID159833226
Molecular FormulaC128H148Cl5FN34O2
Molecular Weight2391.09 g/mol
Exact Mass2387.10
IUPAC Name3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
SMILESCc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2ccc[nH]c2=O)n1.Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccccn5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cccnc5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccnnc5)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/2C27H31ClN8.C25H27ClFN9.C25H32ClN5O.C24H27ClN4O/c1-17-12-24(31-27-30-15-23(28)26(33-27)32-25-13-19(3)34-35-25)18(2)11-22(17)21-6-9-36(10-7-21)16-20-5-4-8-29-14-20;1-17-13-24(31-27-30-15-23(28)26(33-27)32-25-14-19(3)34-35-25)18(2)12-22(17)20-7-10-36(11-8-20)16-21-6-4-5-9-29-21;1-15-9-22(31-25-28-13-20(26)24(33-25)32-23-10-16(2)34-35-23)21(27)11-19(15)18-4-7-36(8-5-18)14-17-3-6-29-30-12-17;1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20;1-15-11-20(17-5-8-26-9-6-17)16(2)10-19(15)13-23-28-14-21(25)22(29-23)12-18-4-3-7-27-24(18)30/h4-5,8,11-15,21H,6-7,9-10,16H2,1-3H3,(H3,30,31,32,33,34,35);4-6,9,12-15,20H,7-8,10-11,16H2,1-3H3,(H3,30,31,32,33,34,35);3,6,9-13,18H,4-5,7-8,14H2,1-2H3,(H3,28,31,32,33,34,35);5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30);3-4,7,10-11,14,17,26H,5-6,8-9,12-13H2,1-2H3,(H,27,30)
InChIKeyNNSKBPRFUQXCIM-UHFFFAOYSA-N
XLogP26.37
TPSA434.44 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.09
LogP ≤ 526.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylpropanamide;(2S)-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;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
CID 158753595
2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanamide;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160087873
(2S)-2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-N-methylpropanamide;(2R)-2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanamide;2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-methyl-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 160123184
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160509834
1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]butan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carbaldehyde;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160784356
(2S)-2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-N-methylpropanamide;(2R)-2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-N-methylpropanamide;2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-methyl-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 161987943
4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 157289359
N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
CID 157392376
N-[[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]phenyl]methyl]acetamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]naphthalen-1-yl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalen-1-yl]-N-methylbenzamide;ethyl 5-[[5-chloro-2-[2-methoxy-5-methyl-4-[4-(methylcarbamoyl)phenyl]anilino]pyrimidin-4-yl]amino]-1H-pyrazole-4-carboxylate
CID 157460590
4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzoic acid;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 158073391
5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;(2S)-2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanamide;ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidine-1-carboxylate
CID 158824373
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
CID 158935916

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The IUPAC name of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (CID 159833226) is 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.
What is the SMILES notation for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The canonical SMILES for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2ccc[nH]c2=O)n1.Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccccn5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cccnc5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccnnc5)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
The InChIKey is NNSKBPRFUQXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31ClN8.C25H27ClFN9.C25H32ClN5O.C24H27ClN4O/c1-17-12-24(31-27-30-15-23(28)26(33-27)32-25-13-19(3)34-35-25)18(2)11-22(17)21-6-9-36(10-7-21)16-20-5-4-8-29-14-20;1-17-13-24(31-27-30-15-23(28)26(33-27)32-25-14-19(3)34-35-25)18(2)12-22(17)20-7-10-36(11-8-20)16-21-6-4-5-9-29-21;1-15-9-22(31-25-28-13-20(26)24(33-25)32-23-10-16(2)34-35-23)21(27)11-19(15)18-4-7-36(8-5-18)14-17-3-6-29-30-12-17;1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20;1-15-11-20(17-5-8-26-9-6-17)16(2)10-19(15)13-23-28-14-21(25)22(29-23)12-18-4-3-7-27-24(18)30/h4-5,8,11-15,21H,6-7,9-10,16H2,1-3H3,(H3,30,31,32,33,34,35);4-6,9,12-15,20H,7-8,10-11,16H2,1-3H3,(H3,30,31,32,33,34,35);3,6,9-13,18H,4-5,7-8,14H2,1-2H3,(H3,28,31,32,33,34,35);5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30);3-4,7,10-11,14,17,26H,5-6,8-9,12-13H2,1-2H3,(H,27,30).
What are the key properties of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?
3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine has a molecular weight of 2391.09 g/mol, XLogP of 26.37, 33 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is sourced from PubChem (CID 159833226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).