6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine

C172H127F10N39S2 — CID 157230514

IUPAC6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)nc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncnn5c4)c3F)cc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cn2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2F)ccn1.Fc1c(NCc2ccc(-c3ccncc3)cc2)ncnc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H19F2N5.C26H20FN5.C26H19FN4.C25H18F2N6.C23H16F2N6S.C23H18FN7.C23H17FN6S/c1-16-10-21(8-9-29-16)24-22(27)11-17(13-30-24)14-31-26-23(28)25(32-15-33-26)20-7-6-18-4-2-3-5-19(18)12-20;1-17-12-20(10-11-28-17)22-8-9-23(29-14-22)15-30-26-24(27)25(31-16-32-26)21-7-6-18-4-2-3-5-19(18)13-21;27-24-25(23-10-9-19-3-1-2-4-22(19)15-23)30-17-31-26(24)29-16-18-5-7-20(8-6-18)21-11-13-28-14-12-21;1-15-9-19(6-8-28-15)23-20(26)10-16(12-30-23)13-31-25-22(27)24(32-14-33-25)18-4-5-21-17(11-18)3-2-7-29-21;1-13-6-16(4-5-26-13)21-17(24)7-14(9-27-21)10-28-23-20(25)22(29-11-30-23)15-2-3-18-19(8-15)32-12-31-18;1-15-10-18(8-9-25-15)17-4-2-16(3-5-17)11-26-23-21(24)22(28-13-29-23)19-6-7-20-27-14-30-31(20)12-19;1-14-8-16(6-7-25-14)18-4-2-15(10-26-18)11-27-23-21(24)22(28-12-29-23)17-3-5-19-20(9-17)31-13-30-19/h2-13,15H,14H2,1H3,(H,31,32,33);2-14,16H,15H2,1H3,(H,30,31,32);1-15,17H,16H2,(H,29,30,31);2-12,14H,13H2,1H3,(H,31,32,33);2-9,11-12H,10H2,1H3,(H,28,29,30);2-10,12-14H,11H2,1H3,(H,26,28,29);2-10,12-13H,11H2,1H3,(H,27,28,29)
InChIKeyAUAWDZVGRCINAP-UHFFFAOYSA-N
MW2994.29 g/mol
LogP38.21
Rot. Bonds35

About 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine

6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine (PubChem CID 157230514) has the molecular formula C172H127F10N39S2 and a molecular weight of 2994.29 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine
PubChem CID157230514
Molecular FormulaC172H127F10N39S2
Molecular Weight2994.29 g/mol
Exact Mass2992.04
IUPAC Name6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)nc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncnn5c4)c3F)cc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cn2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2F)ccn1.Fc1c(NCc2ccc(-c3ccncc3)cc2)ncnc1-c1ccc2ccccc2c1
InChIInChI=1S/C26H19F2N5.C26H20FN5.C26H19FN4.C25H18F2N6.C23H16F2N6S.C23H18FN7.C23H17FN6S/c1-16-10-21(8-9-29-16)24-22(27)11-17(13-30-24)14-31-26-23(28)25(32-15-33-26)20-7-6-18-4-2-3-5-19(18)12-20;1-17-12-20(10-11-28-17)22-8-9-23(29-14-22)15-30-26-24(27)25(31-16-32-26)21-7-6-18-4-2-3-5-19(18)13-21;27-24-25(23-10-9-19-3-1-2-4-22(19)15-23)30-17-31-26(24)29-16-18-5-7-20(8-6-18)21-11-13-28-14-12-21;1-15-9-19(6-8-28-15)23-20(26)10-16(12-30-23)13-31-25-22(27)24(32-14-33-25)18-4-5-21-17(11-18)3-2-7-29-21;1-13-6-16(4-5-26-13)21-17(24)7-14(9-27-21)10-28-23-20(25)22(29-11-30-23)15-2-3-18-19(8-15)32-12-31-18;1-15-10-18(8-9-25-15)17-4-2-16(3-5-17)11-26-23-21(24)22(28-13-29-23)19-6-7-20-27-14-30-31(20)12-19;1-14-8-16(6-7-25-14)18-4-2-15(10-26-18)11-27-23-21(24)22(28-12-29-23)17-3-5-19-20(9-17)31-13-30-19/h2-13,15H,14H2,1H3,(H,31,32,33);2-14,16H,15H2,1H3,(H,30,31,32);1-15,17H,16H2,(H,29,30,31);2-12,14H,13H2,1H3,(H,31,32,33);2-9,11-12H,10H2,1H3,(H,28,29,30);2-10,12-14H,11H2,1H3,(H,26,28,29);2-10,12-13H,11H2,1H3,(H,27,28,29)
InChIKeyAUAWDZVGRCINAP-UHFFFAOYSA-N
XLogP38.21
TPSA488.21 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002994.29
LogP ≤ 538.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine 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

3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
6-[4-Amino-1-[[2-(4-methylpiperazin-4-ium-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 72199472
6-[4-Amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515086
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
6-[4-Amino-1-[[2-(4-propan-2-ylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515126
6-[4-Amino-1-[[3-(2-methylimidazol-1-yl)naphthalen-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 121403207
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634610
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634682
N-[2-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]phenyl]-1,3-benzothiazol-2-amine
CID 140003780
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine (CID 157230514) is 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine is Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)nc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncnn5c4)c3F)cc2)ccn1.Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cn2)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncccc5c4)c3F)cc2F)ccn1.Cc1cc(-c2ncc(CNc3ncnc(-c4ccc5ncsc5c4)c3F)cc2F)ccn1.Fc1c(NCc2ccc(-c3ccncc3)cc2)ncnc1-c1ccc2ccccc2c1.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is AUAWDZVGRCINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5.C26H20FN5.C26H19FN4.C25H18F2N6.C23H16F2N6S.C23H18FN7.C23H17FN6S/c1-16-10-21(8-9-29-16)24-22(27)11-17(13-30-24)14-31-26-23(28)25(32-15-33-26)20-7-6-18-4-2-3-5-19(18)12-20;1-17-12-20(10-11-28-17)22-8-9-23(29-14-22)15-30-26-24(27)25(31-16-32-26)21-7-6-18-4-2-3-5-19(18)13-21;27-24-25(23-10-9-19-3-1-2-4-22(19)15-23)30-17-31-26(24)29-16-18-5-7-20(8-6-18)21-11-13-28-14-12-21;1-15-9-19(6-8-28-15)23-20(26)10-16(12-30-23)13-31-25-22(27)24(32-14-33-25)18-4-5-21-17(11-18)3-2-7-29-21;1-13-6-16(4-5-26-13)21-17(24)7-14(9-27-21)10-28-23-20(25)22(29-11-30-23)15-2-3-18-19(8-15)32-12-31-18;1-15-10-18(8-9-25-15)17-4-2-16(3-5-17)11-26-23-21(24)22(28-13-29-23)19-6-7-20-27-14-30-31(20)12-19;1-14-8-16(6-7-25-14)18-4-2-15(10-26-18)11-27-23-21(24)22(28-12-29-23)17-3-5-19-20(9-17)31-13-30-19/h2-13,15H,14H2,1H3,(H,31,32,33);2-14,16H,15H2,1H3,(H,30,31,32);1-15,17H,16H2,(H,29,30,31);2-12,14H,13H2,1H3,(H,31,32,33);2-9,11-12H,10H2,1H3,(H,28,29,30);2-10,12-14H,11H2,1H3,(H,26,28,29);2-10,12-13H,11H2,1H3,(H,27,28,29).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine?
6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 2994.29 g/mol, XLogP of 38.21, 35 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;6-(1,3-benzothiazol-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-quinolin-6-ylpyrimidin-4-amine;5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-amine;5-fluoro-N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine;5-fluoro-6-naphthalen-2-yl-N-[(4-pyridin-4-ylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 157230514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).