6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

C122H139F11N22O4 — CID 157277588

IUPAC6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC(F)(F)c1ccc(C2CCCN2c2ncnc(CCC3CCC(CC(=O)O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3cccc(Cn4cncn4)c3)c2F)cc1.COCc1cccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)c1.Cc1ccc(CNc2ncnc(N3CCCC3CC3CC4CCC3C4)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C)o3)c2F)cn1
InChIInChI=1S/C27H27F3N6.C26H32F3N3O2.C26H28F3N3O.C23H30FN5.C20H22FN5O/c1-27(29,30)22-10-8-21(9-11-22)24-6-3-13-36(24)26-25(28)23(32-17-33-26)12-7-19-4-2-5-20(14-19)15-35-18-31-16-34-35;1-26(28,29)20-11-9-19(10-12-20)22-3-2-14-32(22)25-24(27)21(30-16-31-25)13-8-17-4-6-18(7-5-17)15-23(33)34;1-26(28,29)21-11-9-20(10-12-21)23-7-4-14-32(23)25-24(27)22(30-17-31-25)13-8-18-5-3-6-19(15-18)16-33-2;1-15-4-5-17(12-25-15)13-26-22-21(24)23(28-14-27-22)29-8-2-3-20(29)11-19-10-16-6-7-18(19)9-16;1-13-5-7-15(10-22-13)11-23-19-18(21)20(25-12-24-19)26-9-3-4-16(26)17-8-6-14(2)27-17/h2,4-5,8-11,14,16-18,24H,3,6-7,12-13,15H2,1H3;9-12,16-18,22H,2-8,13-15H2,1H3,(H,33,34);3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3;4-5,12,14,16,18-20H,2-3,6-11,13H2,1H3,(H,26,27,28);5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,24,25)
InChIKeyAZHCKZANSWYHIZ-UHFFFAOYSA-N
MW2186.58 g/mol
LogP26.68
Rot. Bonds35

About 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 157277588) has the molecular formula C122H139F11N22O4 and a molecular weight of 2186.58 g/mol. Its IUPAC name is 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID157277588
Molecular FormulaC122H139F11N22O4
Molecular Weight2186.58 g/mol
Exact Mass2185.12
IUPAC Name6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCC(F)(F)c1ccc(C2CCCN2c2ncnc(CCC3CCC(CC(=O)O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3cccc(Cn4cncn4)c3)c2F)cc1.COCc1cccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)c1.Cc1ccc(CNc2ncnc(N3CCCC3CC3CC4CCC3C4)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C)o3)c2F)cn1
InChIInChI=1S/C27H27F3N6.C26H32F3N3O2.C26H28F3N3O.C23H30FN5.C20H22FN5O/c1-27(29,30)22-10-8-21(9-11-22)24-6-3-13-36(24)26-25(28)23(32-17-33-26)12-7-19-4-2-5-20(14-19)15-35-18-31-16-34-35;1-26(28,29)20-11-9-19(10-12-20)22-3-2-14-32(22)25-24(27)21(30-16-31-25)13-8-17-4-6-18(7-5-17)15-23(33)34;1-26(28,29)21-11-9-20(10-12-21)23-7-4-14-32(23)25-24(27)22(30-17-31-25)13-8-18-5-3-6-19(15-18)16-33-2;1-15-4-5-17(12-25-15)13-26-22-21(24)23(28-14-27-22)29-8-2-3-20(29)11-19-10-16-6-7-18(19)9-16;1-13-5-7-15(10-22-13)11-23-19-18(21)20(25-12-24-19)26-9-3-4-16(26)17-8-6-14(2)27-17/h2,4-5,8-11,14,16-18,24H,3,6-7,12-13,15H2,1H3;9-12,16-18,22H,2-8,13-15H2,1H3,(H,33,34);3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3;4-5,12,14,16,18-20H,2-3,6-11,13H2,1H3,(H,26,27,28);5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,24,25)
InChIKeyAZHCKZANSWYHIZ-UHFFFAOYSA-N
XLogP26.68
TPSA285.32 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.58
LogP ≤ 526.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

bis(2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetic acid);4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;N-[(6-ethyl-3-pyridinyl)methyl]-5-fluoro-N-methyl-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 157668820
CID 158569026
CID 158569026
2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methylcyclohexyl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(methylsulfonylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[5-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyrimidin-4-amine
CID 158671578
[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one
CID 158882932
2-[4-[2-[6-[2-[4-(1,1-difluoroethoxy)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrimidin-4-amine;1-[4-[[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;5-fluoro-N-[[4-(4H-pyrazol-3-ylmethyl)cyclohexyl]methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 159037138
4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate
CID 159168857
[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 159193338
8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-phenyl-8-[7-(trifluoromethyl)-1H-isoindol-5-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 159854684
1-(6-cyclohexyloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-phenylethanone;1-(6-cyclohexyloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-4-ylethanone;1-(6-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;1-(6-pentan-3-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-phenylethanone;1-(6-pentan-3-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);tris(1,1,1-trifluoropropan-2-one)
CID 160026942
4-[2-[4-(1,1-Difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-methyl-3-(oxan-4-yl)propyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzoic acid;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[[6-[2-[5-(1,1-difluoroethyl)-2-pyridinyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-4,4-dimethylpentanamide
CID 160348238
4-[2-[4-(1,1-Difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(5-methylfuran-2-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(1-methylpyrrol-3-yl)ethyl]pyrimidine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-1-methylpyrrolidin-2-one;3-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-one
CID 160952612
2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 161017932

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 157277588) is 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCC3CCC(CC(=O)O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2CCCN2c2ncnc(CCc3cccc(Cn4cncn4)c3)c2F)cc1.COCc1cccc(CCc2ncnc(N3CCCC3c3ccc(C(C)(F)F)cc3)c2F)c1.Cc1ccc(CNc2ncnc(N3CCCC3CC3CC4CCC3C4)c2F)cn1.Cc1ccc(CNc2ncnc(N3CCCC3c3ccc(C)o3)c2F)cn1.
What is the InChIKey of 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is AZHCKZANSWYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6.C26H32F3N3O2.C26H28F3N3O.C23H30FN5.C20H22FN5O/c1-27(29,30)22-10-8-21(9-11-22)24-6-3-13-36(24)26-25(28)23(32-17-33-26)12-7-19-4-2-5-20(14-19)15-35-18-31-16-34-35;1-26(28,29)20-11-9-19(10-12-20)22-3-2-14-32(22)25-24(27)21(30-16-31-25)13-8-17-4-6-18(7-5-17)15-23(33)34;1-26(28,29)21-11-9-20(10-12-21)23-7-4-14-32(23)25-24(27)22(30-17-31-25)13-8-18-5-3-6-19(15-18)16-33-2;1-15-4-5-17(12-25-15)13-26-22-21(24)23(28-14-27-22)29-8-2-3-20(29)11-19-10-16-6-7-18(19)9-16;1-13-5-7-15(10-22-13)11-23-19-18(21)20(25-12-24-19)26-9-3-4-16(26)17-8-6-14(2)27-17/h2,4-5,8-11,14,16-18,24H,3,6-7,12-13,15H2,1H3;9-12,16-18,22H,2-8,13-15H2,1H3,(H,33,34);3,5-6,9-12,15,17,23H,4,7-8,13-14,16H2,1-2H3;4-5,12,14,16,18-20H,2-3,6-11,13H2,1H3,(H,26,27,28);5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 2186.58 g/mol, XLogP of 26.68, 35 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(methoxymethyl)phenyl]ethyl]pyrimidine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]cyclohexyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 157277588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).