N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C109H149N31O4 — CID 160518662

IUPACN-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCn2ccnc2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCCCC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C28H40N8O.C28H40N8.C27H37N7O2.C26H32N8O/c1-21-26(25-13-15-30-28(32-25)31-22-9-11-24(37)12-10-22)27(33-36(21)23-7-4-3-5-8-23)29-14-6-16-35-19-17-34(2)18-20-35;1-22-26(25-14-16-30-28(32-25)31-23-10-5-3-6-11-23)27(33-36(22)24-12-7-4-8-13-24)29-15-9-17-35-20-18-34(2)19-21-35;1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33;1-19-24(23-12-14-29-26(31-23)30-20-8-10-22(35)11-9-20)25(28-13-5-16-33-17-15-27-18-33)32-34(19)21-6-3-2-4-7-21/h3-5,7-8,13,15,22,24,37H,6,9-12,14,16-20H2,1-2H3,(H,29,33)(H,30,31,32);4,7-8,12-14,16,23H,3,5-6,9-11,15,17-21H2,1-2H3,(H,29,33)(H,30,31,32);2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31);2-4,6-7,12,14-15,17-18,20,22,35H,5,8-11,13,16H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyQTZGNIXKWIHZIS-UHFFFAOYSA-N
MW1957.60 g/mol
LogP15.37
Rot. Bonds36

About N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 160518662) has the molecular formula C109H149N31O4 and a molecular weight of 1957.60 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID160518662
Molecular FormulaC109H149N31O4
Molecular Weight1957.60 g/mol
Exact Mass1956.24
IUPAC NameN-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCn2ccnc2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCCCC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C28H40N8O.C28H40N8.C27H37N7O2.C26H32N8O/c1-21-26(25-13-15-30-28(32-25)31-22-9-11-24(37)12-10-22)27(33-36(21)23-7-4-3-5-8-23)29-14-6-16-35-19-17-34(2)18-20-35;1-22-26(25-14-16-30-28(32-25)31-23-10-5-3-6-11-23)27(33-36(22)24-12-7-4-8-13-24)29-15-9-17-35-20-18-34(2)19-21-35;1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33;1-19-24(23-12-14-29-26(31-23)30-20-8-10-22(35)11-9-20)25(28-13-5-16-33-17-15-27-18-33)32-34(19)21-6-3-2-4-7-21/h3-5,7-8,13,15,22,24,37H,6,9-12,14,16-20H2,1-2H3,(H,29,33)(H,30,31,32);4,7-8,12-14,16,23H,3,5-6,9-11,15,17-21H2,1-2H3,(H,29,33)(H,30,31,32);2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31);2-4,6-7,12,14-15,17-18,20,22,35H,5,8-11,13,16H2,1H3,(H,28,32)(H,29,30,31)
InChIKeyQTZGNIXKWIHZIS-UHFFFAOYSA-N
XLogP15.37
TPSA374.58 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.60
LogP ≤ 515.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157125171
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157997137
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-(4-fluorophenyl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158050810
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-ium;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 158476129
(2S)-2-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]cyclopentan-1-one;4-[5-(2-morpholin-4-yl-4-pyridinyl)-2-(propan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-morpholin-4-yl-4-pyridinyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 158588450
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;7-(4-methylcyclohexyl)-5-(2-methyl-4-pyridinyl)-N-[(2S)-1-propan-2-yloxypropan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;7-(4-methylcyclohexyl)-5-(2-methyl-4-pyridinyl)-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 158881650
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 159003066
1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 159365484
tert-butyl (3R)-3-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate;4-[2-[[(3S)-oxolan-3-yl]methyl]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-piperidin-1-yl-4-pyridinyl)-2-(3,3,3-trifluoropropylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 160057104
N-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]propan-2-ol;5-[6-[(dimethylamino)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[[2-methoxyethyl(methyl)amino]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3-methoxypropylamino)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 160064545
[6-[6-[[(1S)-1-cyclohexylethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-2-methyl-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(2-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 160763787
N,N-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-amine;N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;1-methyl-4-[(4-methylphenyl)methyl]piperazine;4-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]imidazole;1-methyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine;1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazine;1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-ol;N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 161205261

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 160518662) is N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCN2CCOCC2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCC(O)CC3)n2)c(NCCCn2ccnc2)nn1-c1ccccc1.Cc1c(-c2ccnc(NC3CCCCC3)n2)c(NCCCN2CCN(C)CC2)nn1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is QTZGNIXKWIHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8O.C28H40N8.C27H37N7O2.C26H32N8O/c1-21-26(25-13-15-30-28(32-25)31-22-9-11-24(37)12-10-22)27(33-36(21)23-7-4-3-5-8-23)29-14-6-16-35-19-17-34(2)18-20-35;1-22-26(25-14-16-30-28(32-25)31-23-10-5-3-6-11-23)27(33-36(22)24-12-7-4-8-13-24)29-15-9-17-35-20-18-34(2)19-21-35;1-20-25(24-12-14-29-27(31-24)30-21-8-10-23(35)11-9-21)26(32-34(20)22-6-3-2-4-7-22)28-13-5-15-33-16-18-36-19-17-33;1-19-24(23-12-14-29-26(31-23)30-20-8-10-22(35)11-9-20)25(28-13-5-16-33-17-15-27-18-33)32-34(19)21-6-3-2-4-7-21/h3-5,7-8,13,15,22,24,37H,6,9-12,14,16-20H2,1-2H3,(H,29,33)(H,30,31,32);4,7-8,12-14,16,23H,3,5-6,9-11,15,17-21H2,1-2H3,(H,29,33)(H,30,31,32);2-4,6-7,12,14,21,23,35H,5,8-11,13,15-19H2,1H3,(H,28,32)(H,29,30,31);2-4,6-7,12,14-15,17-18,20,22,35H,5,8-11,13,16H2,1H3,(H,28,32)(H,29,30,31).
What are the key properties of N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 1957.60 g/mol, XLogP of 15.37, 36 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-amine;4-[[4-[3-(3-imidazol-1-ylpropylamino)-5-methyl-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-[3-(4-methylpiperazin-1-yl)propylamino]-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol;4-[[4-[5-methyl-3-(3-morpholin-4-ylpropylamino)-1-phenylpyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 160518662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).