4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine

C123H131N31O12 — CID 163965480

IUPAC4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4ccnn4C)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCc4cccnn4)n3)n2)c1
InChIInChI=1S/2C26H27N5O3.2C24H27N7O2.C23H23N7O2/c2*1-19-6-5-9-21(16-19)22-10-11-31(29-22)25-17-24(30-12-14-33-15-13-30)27-26(28-25)34-18-23(32)20-7-3-2-4-8-20;1-18-4-3-5-19(16-18)21-7-10-31(28-21)23-17-22(30-11-14-32-15-12-30)26-24(27-23)33-13-8-20-6-9-25-29(20)2;1-18-4-3-5-20(14-18)21-6-8-31(28-21)23-15-22(30-9-12-32-13-10-30)26-24(27-23)33-11-7-19-16-25-29(2)17-19;1-17-4-2-5-18(14-17)20-7-9-30(28-20)22-15-21(29-10-12-31-13-11-29)25-23(26-22)32-16-19-6-3-8-24-27-19/h2*2-11,16-17,23,32H,12-15,18H2,1H3;3-7,9-10,16-17H,8,11-15H2,1-2H3;3-6,8,14-17H,7,9-13H2,1-2H3;2-9,14-15H,10-13,16H2,1H3/t2*23-;;;/m10.../s1
InChIKeySLIHVQRMDGNKOU-FBKXPWLNSA-N
MW2235.61 g/mol
LogP15.68
Rot. Bonds34

About 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine (PubChem CID 163965480) has the molecular formula C123H131N31O12 and a molecular weight of 2235.61 g/mol. Its IUPAC name is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine
PubChem CID163965480
Molecular FormulaC123H131N31O12
Molecular Weight2235.61 g/mol
Exact Mass2234.06
IUPAC Name4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4ccnn4C)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCc4cccnn4)n3)n2)c1
InChIInChI=1S/2C26H27N5O3.2C24H27N7O2.C23H23N7O2/c2*1-19-6-5-9-21(16-19)22-10-11-31(29-22)25-17-24(30-12-14-33-15-13-30)27-26(28-25)34-18-23(32)20-7-3-2-4-8-20;1-18-4-3-5-19(16-18)21-7-10-31(28-21)23-17-22(30-11-14-32-15-12-30)26-24(27-23)33-13-8-20-6-9-25-29(20)2;1-18-4-3-5-20(14-18)21-6-8-31(28-21)23-15-22(30-9-12-32-13-10-30)26-24(27-23)33-11-7-19-16-25-29(2)17-19;1-17-4-2-5-18(14-17)20-7-9-30(28-20)22-15-21(29-10-12-31-13-11-29)25-23(26-22)32-16-19-6-3-8-24-27-19/h2*2-11,16-17,23,32H,12-15,18H2,1H3;3-7,9-10,16-17H,8,11-15H2,1-2H3;3-6,8,14-17H,7,9-13H2,1-2H3;2-9,14-15H,10-13,16H2,1H3/t2*23-;;;/m10.../s1
InChIKeySLIHVQRMDGNKOU-FBKXPWLNSA-N
XLogP15.68
TPSA428.38 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.61
LogP ≤ 515.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine 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

(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 160857684
4-[2-Methoxy-5-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[2-methyl-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]morpholine;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]propan-1-ol;1-(1-methylpyrazol-4-yl)-3-[4-morpholin-4-yl-6-(3-phenylpyrazol-1-yl)pyrimidin-2-yl]prop-2-yn-1-ol
CID 163417280
2-[6-[Hydroxy-[9-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-3-oxabicyclo[3.3.1]nonan-7-yl]methyl]-5-[1-[1-(3-methyloxan-4-yl)piperidin-4-yl]pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]-2-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]oxyethanol
CID 89924277
(1S,2R,6R)-2-amino-6-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;(1S,2R,6R)-2-amino-6-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]oxycyclohexan-1-ol;(1R,2S,3R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol;(1R,2S,3R)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol
CID 157199030
(3aR,6aR)-4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(2-pyrimidin-2-ylethyl)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;[4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(oxolan-2-yl)ethyl]pyrimidin-4-yl]morpholin-3-yl]methanol
CID 157230408
(4-fluorophenyl)-[6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2-pyridinyl]methanol;(R)-(4-fluorophenyl)-[6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2-pyridinyl]methanol;(S)-(4-fluorophenyl)-[6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2-pyridinyl]methanol
CID 157334014
(2S,6R)-2,6-dimethyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;(3S,4S)-4-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]pyrrolidin-3-ol;5-(1-methylpyrazol-4-yl)-3-(2-piperidin-1-yl-4-pyridinyl)-1H-isoindole;5-(1-methylpyrazol-4-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-isoindole;5-(1-methylpyrazol-4-yl)-3-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]-4-pyridinyl]-1H-isoindole
CID 157740634
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol;4-[4-[5-[(1R)-1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;4-[4-[5-[(1S)-1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol;(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 158466900
(2R,6S)-2,6-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-[6-[4-(2-methoxyethoxy)piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;(3S,4S)-4-methoxy-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;(2R)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;3-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 158640876
[4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol;[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylphenyl]methanol;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]phenyl]ethanol;6-(difluoromethyl)-3-(6-piperidin-3-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-pyrrolidin-3-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 158979134
1-Cyclohexyl-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-3-ylethanol;2-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 159380080
2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 159717339

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine (CID 163965480) is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4ccnn4C)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OC[C@H](O)c4ccccc4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCc4cccnn4)n3)n2)c1.
What is the InChIKey of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine?
The InChIKey is SLIHVQRMDGNKOU-FBKXPWLNSA-N. The full InChI is InChI=1S/2C26H27N5O3.2C24H27N7O2.C23H23N7O2/c2*1-19-6-5-9-21(16-19)22-10-11-31(29-22)25-17-24(30-12-14-33-15-13-30)27-26(28-25)34-18-23(32)20-7-3-2-4-8-20;1-18-4-3-5-19(16-18)21-7-10-31(28-21)23-17-22(30-11-14-32-15-12-30)26-24(27-23)33-13-8-20-6-9-25-29(20)2;1-18-4-3-5-20(14-18)21-6-8-31(28-21)23-15-22(30-9-12-32-13-10-30)26-24(27-23)33-11-7-19-16-25-29(2)17-19;1-17-4-2-5-18(14-17)20-7-9-30(28-20)22-15-21(29-10-12-31-13-11-29)25-23(26-22)32-16-19-6-3-8-24-27-19/h2*2-11,16-17,23,32H,12-15,18H2,1H3;3-7,9-10,16-17H,8,11-15H2,1-2H3;3-6,8,14-17H,7,9-13H2,1-2H3;2-9,14-15H,10-13,16H2,1H3/t2*23-;;;/m10.../s1.
What are the key properties of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine?
4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine has a molecular weight of 2235.61 g/mol, XLogP of 15.68, 34 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[2-(2-methylpyrazol-3-yl)ethoxy]pyrimidin-4-yl]morpholine;(1R)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;(1S)-2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1-phenylethanol;4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-(pyridazin-3-ylmethoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 163965480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).