tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

C109H111F10N33O3 — CID 157133710

IUPACtert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3ccnc(Nc4ccc(-n5cnc(C(F)(F)F)n5)cc4)n3)c2)CC1.COc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCN(C(C)C)CC6)c5)n4)cc3)n2)cn1.Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCN(C(C)C)CC5)c4)n3)cc2)n1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C31H32FN9O.C28H28F4N8O2.C27H31FN8.C23H20F4N8/c1-21(2)39-12-14-40(15-13-39)27-17-23(16-24(32)18-27)28-10-11-33-31(37-28)36-25-5-7-26(8-6-25)41-20-35-30(38-41)22-4-9-29(42-3)34-19-22;1-27(2,3)42-26(41)39-12-10-38(11-13-39)22-15-18(14-19(29)16-22)23-8-9-33-25(36-23)35-20-4-6-21(7-5-20)40-17-34-24(37-40)28(30,31)32;1-18(2)34-11-13-35(14-12-34)25-16-21(15-22(28)17-25)26-9-10-29-27(32-26)31-23-5-7-24(8-6-23)36-20(4)30-19(3)33-36;24-16-11-15(12-19(13-16)34-9-7-28-8-10-34)20-5-6-29-22(32-20)31-17-1-3-18(4-2-17)35-14-30-21(33-35)23(25,26)27/h4-11,16-21H,12-15H2,1-3H3,(H,33,36,37);4-9,14-17H,10-13H2,1-3H3,(H,33,35,36);5-10,15-18H,11-14H2,1-4H3,(H,29,31,32);1-6,11-14,28H,7-10H2,(H,29,31,32)
InChIKeyAJJHGCBHLZTWSP-UHFFFAOYSA-N
MW2121.29 g/mol
LogP19.68
Rot. Bonds24

About tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 157133710) has the molecular formula C109H111F10N33O3 and a molecular weight of 2121.29 g/mol. Its IUPAC name is tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Nametert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
PubChem CID157133710
Molecular FormulaC109H111F10N33O3
Molecular Weight2121.29 g/mol
Exact Mass2119.94
IUPAC Nametert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3ccnc(Nc4ccc(-n5cnc(C(F)(F)F)n5)cc4)n3)c2)CC1.COc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCN(C(C)C)CC6)c5)n4)cc3)n2)cn1.Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCN(C(C)C)CC5)c4)n3)cc2)n1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCNCC2)c1
InChIInChI=1S/C31H32FN9O.C28H28F4N8O2.C27H31FN8.C23H20F4N8/c1-21(2)39-12-14-40(15-13-39)27-17-23(16-24(32)18-27)28-10-11-33-31(37-28)36-25-5-7-26(8-6-25)41-20-35-30(38-41)22-4-9-29(42-3)34-19-22;1-27(2,3)42-26(41)39-12-10-38(11-13-39)22-15-18(14-19(29)16-22)23-8-9-33-25(36-23)35-20-4-6-21(7-5-20)40-17-34-24(37-40)28(30,31)32;1-18(2)34-11-13-35(14-12-34)25-16-21(15-22(28)17-25)26-9-10-29-27(32-26)31-23-5-7-24(8-6-23)36-20(4)30-19(3)33-36;24-16-11-15(12-19(13-16)34-9-7-28-8-10-34)20-5-6-29-22(32-20)31-17-1-3-18(4-2-17)35-14-30-21(33-35)23(25,26)27/h4-11,16-21H,12-15H2,1-3H3,(H,33,36,37);4-9,14-17H,10-13H2,1-3H3,(H,33,35,36);5-10,15-18H,11-14H2,1-4H3,(H,29,31,32);1-6,11-14,28H,7-10H2,(H,29,31,32)
InChIKeyAJJHGCBHLZTWSP-UHFFFAOYSA-N
XLogP19.68
TPSA357.21 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.29
LogP ≤ 519.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-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

4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221255
4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 59587994
4-[3-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 117076486
4-[3-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221141
Tert-butyl 4-[3-fluoro-5-[2-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate
CID 59588116
4-[3-Fluoro-5-[2-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylic acid
CID 68772666
1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
1-[3-[2-[[1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-6-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-4-yl]-4-methylpiperazin-1-yl]-2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methyl-1-[[4-[[5-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]pyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]ethanone
CID 123374972
tert-butyl (3R)-3-[[5-fluoro-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 144859365
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (CID 157133710) is tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(-c3ccnc(Nc4ccc(-n5cnc(C(F)(F)F)n5)cc4)n3)c2)CC1.COc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCN(C(C)C)CC6)c5)n4)cc3)n2)cn1.Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCN(C(C)C)CC5)c4)n3)cc2)n1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCNCC2)c1.
What is the InChIKey of tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The InChIKey is AJJHGCBHLZTWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN9O.C28H28F4N8O2.C27H31FN8.C23H20F4N8/c1-21(2)39-12-14-40(15-13-39)27-17-23(16-24(32)18-27)28-10-11-33-31(37-28)36-25-5-7-26(8-6-25)41-20-35-30(38-41)22-4-9-29(42-3)34-19-22;1-27(2,3)42-26(41)39-12-10-38(11-13-39)22-15-18(14-19(29)16-22)23-8-9-33-25(36-23)35-20-4-6-21(7-5-20)40-17-34-24(37-40)28(30,31)32;1-18(2)34-11-13-35(14-12-34)25-16-21(15-22(28)17-25)26-9-10-29-27(32-26)31-23-5-7-24(8-6-23)36-20(4)30-19(3)33-36;24-16-11-15(12-19(13-16)34-9-7-28-8-10-34)20-5-6-29-22(32-20)31-17-1-3-18(4-2-17)35-14-30-21(33-35)23(25,26)27/h4-11,16-21H,12-15H2,1-3H3,(H,33,36,37);4-9,14-17H,10-13H2,1-3H3,(H,33,35,36);5-10,15-18H,11-14H2,1-4H3,(H,29,31,32);1-6,11-14,28H,7-10H2,(H,29,31,32).
What are the key properties of tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2121.29 g/mol, XLogP of 19.68, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157133710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).