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

C96H107N31O4 — CID 158335541

IUPAC5-(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
SMILESCC(=O)CCCNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1ccn(C)n1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCNC(=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCOCC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNC(=O)C4)n3)c2)cn1
InChIInChI=1S/C25H30N8O.2C24H26N8O.C23H25N7O/c1-31-10-7-23(30-31)22-17-27-24(20-6-3-5-19(15-20)21-16-28-32(2)18-21)29-25(22)26-8-4-9-33-11-13-34-14-12-33;1-31-9-7-21(30-31)20-14-27-23(29-24(20)26-12-16-6-8-25-22(33)10-16)18-5-3-4-17(11-18)19-13-28-32(2)15-19;1-31-14-19(11-28-31)17-4-3-5-18(9-17)23-27-13-21(20-12-29-32(2)15-20)24(30-23)26-10-16-6-7-25-22(33)8-16;1-16(31)6-5-10-24-23-20(21-9-11-29(2)28-21)14-25-22(27-23)18-8-4-7-17(12-18)19-13-26-30(3)15-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,26,27,29);3-5,7,9,11,13-16H,6,8,10,12H2,1-2H3,(H,25,33)(H,26,27,29);3-5,9,11-16H,6-8,10H2,1-2H3,(H,25,33)(H,26,27,30);4,7-9,11-15H,5-6,10H2,1-3H3,(H,24,25,27)
InChIKeyGQNNIZXCGJBQFF-UHFFFAOYSA-N
MW1759.12 g/mol
LogP12.57
Rot. Bonds28

About 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

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 (PubChem CID 158335541) has the molecular formula C96H107N31O4 and a molecular weight of 1759.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID158335541
Molecular FormulaC96H107N31O4
Molecular Weight1759.12 g/mol
Exact Mass1757.91
IUPAC Name5-(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
SMILESCC(=O)CCCNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1ccn(C)n1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCNC(=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCOCC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNC(=O)C4)n3)c2)cn1
InChIInChI=1S/C25H30N8O.2C24H26N8O.C23H25N7O/c1-31-10-7-23(30-31)22-17-27-24(20-6-3-5-19(15-20)21-16-28-32(2)18-21)29-25(22)26-8-4-9-33-11-13-34-14-12-33;1-31-9-7-21(30-31)20-14-27-23(29-24(20)26-12-16-6-8-25-22(33)10-16)18-5-3-4-17(11-18)19-13-28-32(2)15-19;1-31-14-19(11-28-31)17-4-3-5-18(9-17)23-27-13-21(20-12-29-32(2)15-20)24(30-23)26-10-16-6-7-25-22(33)8-16;1-16(31)6-5-10-24-23-20(21-9-11-29(2)28-21)14-25-22(27-23)18-8-4-7-17(12-18)19-13-26-30(3)15-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,26,27,29);3-5,7,9,11,13-16H,6,8,10,12H2,1-2H3,(H,25,33)(H,26,27,29);3-5,9,11-16H,6-8,10H2,1-2H3,(H,25,33)(H,26,27,30);4,7-9,11-15H,5-6,10H2,1-3H3,(H,24,25,27)
InChIKeyGQNNIZXCGJBQFF-UHFFFAOYSA-N
XLogP12.57
TPSA381.54 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.12
LogP ≤ 512.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[2-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]propane-1,3-diamine
CID 157415743
N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;2-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]butan-2-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine
CID 157955004
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinane;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine
CID 158266208
2-(2-cyclopropyl-3-pyridinyl)-7-[[4-[4-(trifluoromethyl)-2H-imidazol-1-ium-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)-2H-imidazol-1-ium-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)-2H-imidazol-1-ium-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;iodide
CID 158560564
CID 158598881
CID 158598881
(Z)-N-(4-benzylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylprop-2-enamide;(E)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-(pyrazin-2-ylmethyl)prop-2-enamide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
CID 158614609
2-(2-tert-butyl-4-methyl-3-methylidenepentyl)pyrimidine;N,N-diethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;4,4-difluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(2,5-dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one;N-ethyl-3-methyl-2-methylidene-1-phenylbutan-1-amine;N-ethyl-3-methyl-2-methylidene-1-phenyl-N-propan-2-ylbutan-1-amine;3-fluoro-1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;4-(3-methyl-2-methylidene-1-phenylbutyl)morpholine;1-(3-methyl-2-methylidene-1-phenylbutyl)piperidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidine;1-(3-methyl-2-methylidene-1-phenylbutyl)pyrrolidin-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)-1,3-diazinan-2-one;1-(2,2,5-trimethyl-4-methylidenehexan-3-yl)imidazolidin-2-one;N,N,3-trimethyl-2-methylidene-1-phenylbutan-1-amine
CID 159095573
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxolan-3-yl)pyrimidin-4-amine;1-[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 159451746
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
7-[[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindazol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159991163
CID 160370194
CID 160370194

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCCNc1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1ccn(C)n1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CCNC(=O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCCCN4CCOCC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCNC(=O)C4)n3)c2)cn1.
What is the InChIKey of 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?
The InChIKey is GQNNIZXCGJBQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O.2C24H26N8O.C23H25N7O/c1-31-10-7-23(30-31)22-17-27-24(20-6-3-5-19(15-20)21-16-28-32(2)18-21)29-25(22)26-8-4-9-33-11-13-34-14-12-33;1-31-9-7-21(30-31)20-14-27-23(29-24(20)26-12-16-6-8-25-22(33)10-16)18-5-3-4-17(11-18)19-13-28-32(2)15-19;1-31-14-19(11-28-31)17-4-3-5-18(9-17)23-27-13-21(20-12-29-32(2)15-20)24(30-23)26-10-16-6-7-25-22(33)8-16;1-16(31)6-5-10-24-23-20(21-9-11-29(2)28-21)14-25-22(27-23)18-8-4-7-17(12-18)19-13-26-30(3)15-19/h3,5-7,10,15-18H,4,8-9,11-14H2,1-2H3,(H,26,27,29);3-5,7,9,11,13-16H,6,8,10,12H2,1-2H3,(H,25,33)(H,26,27,29);3-5,9,11-16H,6-8,10H2,1-2H3,(H,25,33)(H,26,27,30);4,7-9,11-15H,5-6,10H2,1-3H3,(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 1759.12 g/mol, XLogP of 12.57, 28 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).