4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide

C115H128N34O12 — CID 163583197

IUPAC4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1.COC(Cc1ccnn1C)c1nc(N2CCOCC2)cc(-n2ccc(-c3ccccc3)n2)n1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(NC(=O)Cc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4(C)COC4)n3)n2)c1.Cn1cc(CCOc2nc(N3CCOCC3)cc(-n3ccc(C(=O)Nc4ccccc4)n3)n2)cn1
InChIInChI=1S/C24H26N8O3.C24H26N8O2.C24H27N7O2.C23H27N5O3.C20H22N6O2/c1-30-17-18(16-25-30)8-12-35-24-27-21(31-10-13-34-14-11-31)15-22(28-24)32-9-7-20(29-32)23(33)26-19-5-3-2-4-6-19;1-17-4-3-5-19(12-17)20-6-7-32(29-20)22-14-21(31-8-10-34-11-9-31)26-24(27-22)28-23(33)13-18-15-25-30(2)16-18;1-29-19(8-10-25-29)16-21(32-2)24-26-22(30-12-14-33-15-13-30)17-23(27-24)31-11-9-20(28-31)18-6-4-3-5-7-18;1-17-4-3-5-18(12-17)19-6-7-28(26-19)21-13-20(27-8-10-29-11-9-27)24-22(25-21)31-16-23(2)14-30-15-23;1-14-4-3-5-16(12-14)17-6-7-26(24-17)19-13-18(25-8-10-28-11-9-25)22-20(23-19)21-15(2)27/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,33);3-7,12,14-16H,8-11,13H2,1-2H3,(H,26,27,28,33);3-11,17,21H,12-16H2,1-2H3;3-7,12-13H,8-11,14-16H2,1-2H3;3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,27)
InChIKeyGJHQFIVZSCKSAO-UHFFFAOYSA-N
MW2178.51 g/mol
LogP12.65
Rot. Bonds31

About 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide

4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide (PubChem CID 163583197) has the molecular formula C115H128N34O12 and a molecular weight of 2178.51 g/mol. Its IUPAC name is 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide
PubChem CID163583197
Molecular FormulaC115H128N34O12
Molecular Weight2178.51 g/mol
Exact Mass2177.05
IUPAC Name4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1.COC(Cc1ccnn1C)c1nc(N2CCOCC2)cc(-n2ccc(-c3ccccc3)n2)n1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(NC(=O)Cc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4(C)COC4)n3)n2)c1.Cn1cc(CCOc2nc(N3CCOCC3)cc(-n3ccc(C(=O)Nc4ccccc4)n3)n2)cn1
InChIInChI=1S/C24H26N8O3.C24H26N8O2.C24H27N7O2.C23H27N5O3.C20H22N6O2/c1-30-17-18(16-25-30)8-12-35-24-27-21(31-10-13-34-14-11-31)15-22(28-24)32-9-7-20(29-32)23(33)26-19-5-3-2-4-6-19;1-17-4-3-5-19(12-17)20-6-7-32(29-20)22-14-21(31-8-10-34-11-9-31)26-24(27-22)28-23(33)13-18-15-25-30(2)16-18;1-29-19(8-10-25-29)16-21(32-2)24-26-22(30-12-14-33-15-13-30)17-23(27-24)31-11-9-20(28-31)18-6-4-3-5-7-18;1-17-4-3-5-18(12-17)19-6-7-28(26-19)21-13-20(27-8-10-29-11-9-27)24-22(25-21)31-16-23(2)14-30-15-23;1-14-4-3-5-16(12-14)17-6-7-26(24-17)19-13-18(25-8-10-28-11-9-25)22-20(23-19)21-15(2)27/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,33);3-7,12,14-16H,8-11,13H2,1-2H3,(H,26,27,28,33);3-11,17,21H,12-16H2,1-2H3;3-7,12-13H,8-11,14-16H2,1-2H3;3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,27)
InChIKeyGJHQFIVZSCKSAO-UHFFFAOYSA-N
XLogP12.65
TPSA458.03 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.51
LogP ≤ 512.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;2-N-[[3-[3-[[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methyl]-6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pyridine-2,6-dicarboxamide;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-(3-formylphenyl)phenyl]methyl]pyridine-2,6-dicarboxamide;methane
CID 157767584
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
CID 157857942
N-[(4-methylmorpholin-2-yl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]piperidin-2-one;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 157994552
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-2-one;4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-2-one;5-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]pentan-2-one
CID 158335541
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpyrazol-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpyrazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-pyrrolidin-1-ylbutanoyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
CID 158878027
N-[6-[5-(aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-[3-(dimethylamino)azetidin-1-yl]pyridine-4-carboxamide;2-[2-(dimethylamino)ethylamino]-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;ethoxyethane;2-(3-methylazetidin-1-yl)-N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]pyridine-4-carboxamide;N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 158915527
(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-phenylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[4-[4-(diethylamino)butanoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-[1-(oxan-4-yl)piperidin-4-yl]-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(1-pyridin-2-ylpyrazol-4-yl)-1H-indol-2-one
CID 159033422
N-[(1R)-1-[4-(2-methylmorpholin-4-yl)phenyl]ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[(1R)-1-(4-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 159204577
N-[[7-(2-azabicyclo[2.2.2]octan-2-yl)-2-(oxetan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-phenylmethanimine;3-[[7-(2,3-dihydroindol-1-yl)-2-(3-isocyanopropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylimino]propanamide;N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;2-methyl-N-[[7-(4-methylpiperazin-1-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;N-[(7-morpholin-4-yl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1-phenylmethanimine
CID 160225618
11-Methyl-18-oxa-3,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2,4,6(27),9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-5,8,11,12,21,23-hexazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-4,8,11,12,23-pentazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione;11-methyl-18-oxa-8,11,12,23-tetrazatetracyclo[20.3.1.12,6.09,13]heptacosa-1(26),2(27),3,5,9,12,22,24-octaene-7,14-dione
CID 160587521
N-[(1S)-1-(8-formyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[2-methyl-8-(2-methyl-4-pyridinyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[1-oxo-8-[(oxolan-2-ylmethylamino)methyl]-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-(1-oxo-2-phenyl-8-propylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161047474
4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpyrazole-1-carboxamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-1H-pyridin-2-one;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-methoxypyrrolidin-1-yl)ethanone;[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-morpholin-4-ylmethanone;5-[4-[1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 161228513

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide (CID 163583197) is 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide is CC(=O)Nc1nc(N2CCOCC2)cc(-n2ccc(-c3cccc(C)c3)n2)n1.COC(Cc1ccnn1C)c1nc(N2CCOCC2)cc(-n2ccc(-c3ccccc3)n2)n1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(NC(=O)Cc4cnn(C)c4)n3)n2)c1.Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4(C)COC4)n3)n2)c1.Cn1cc(CCOc2nc(N3CCOCC3)cc(-n3ccc(C(=O)Nc4ccccc4)n3)n2)cn1.
What is the InChIKey of 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide?
The InChIKey is GJHQFIVZSCKSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3.C24H26N8O2.C24H27N7O2.C23H27N5O3.C20H22N6O2/c1-30-17-18(16-25-30)8-12-35-24-27-21(31-10-13-34-14-11-31)15-22(28-24)32-9-7-20(29-32)23(33)26-19-5-3-2-4-6-19;1-17-4-3-5-19(12-17)20-6-7-32(29-20)22-14-21(31-8-10-34-11-9-31)26-24(27-22)28-23(33)13-18-15-25-30(2)16-18;1-29-19(8-10-25-29)16-21(32-2)24-26-22(30-12-14-33-15-13-30)17-23(27-24)31-11-9-20(28-31)18-6-4-3-5-7-18;1-17-4-3-5-18(12-17)19-6-7-28(26-19)21-13-20(27-8-10-29-11-9-27)24-22(25-21)31-16-23(2)14-30-15-23;1-14-4-3-5-16(12-14)17-6-7-26(24-17)19-13-18(25-8-10-28-11-9-25)22-20(23-19)21-15(2)27/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,33);3-7,12,14-16H,8-11,13H2,1-2H3,(H,26,27,28,33);3-11,17,21H,12-16H2,1-2H3;3-7,12-13H,8-11,14-16H2,1-2H3;3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,27).
What are the key properties of 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide?
4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide has a molecular weight of 2178.51 g/mol, XLogP of 12.65, 31 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-methoxy-2-(2-methylpyrazol-3-yl)ethyl]-6-(3-phenylpyrazol-1-yl)pyrimidin-4-yl]morpholine;4-[2-[(3-methyloxetan-3-yl)methoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]acetamide;N-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)acetamide;1-[2-[2-(1-methylpyrazol-4-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 163583197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).