6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol

C137H133FN40O14S4 — CID 157327890

About 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol

6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol (PubChem CID 157327890) has the molecular formula C137H133FN40O14S4 and a molecular weight of 2711.10 g/mol. Its IUPAC name is 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
• PubChem CID: 157327890
• Molecular Formula: C137H133FN40O14S4
• Molecular Weight: 2711.10 g/mol
• Exact Mass: 2708.98
• IUPAC Name: 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol
• SMILES: CS(=O)(=O)c1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCOCC2)c1.CS(=O)(=O)c1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCCC(O)C5)n4)cc3)n2)cc(N2CCOCC2)c1.Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)cc(S(C)(=O)=O)c5)n4)cc3)n2)nc1.Cc1ncn(-c2ccc(Nc3nccc(-c4cc(N5CCOCC5)cc(S(C)(=O)=O)c4)n3)cc2)n1.N#Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)nc1
• InChI: InChI=1S/C29H28N8O3S.C28H22FN9O.C28H32N8O4S.C28H26N8O3S.C24H25N7O3S/c1-20-3-8-27(31-18-20)28-32-19-37(35-28)23-6-4-22(5-7-23)33-29-30-10-9-26(34-29)21-15-24(36-11-13-40-14-12-36)17-25(16-21)41(2,38)39;29-21-13-20(14-24(15-21)37-9-11-39-12-10-37)25-7-8-31-28(35-25)34-22-2-4-23(5-3-22)38-18-33-27(36-38)26-6-1-19(16-30)17-32-26;1-41(38,39)25-16-20(15-23(17-25)34-11-13-40-14-12-34)26-8-9-29-27(32-26)31-21-4-6-22(7-5-21)36-19-30-28(33-36)35-10-2-3-24(37)18-35;1-40(37,38)24-17-20(16-23(18-24)35-12-14-39-15-13-35)25-9-11-30-28(33-25)32-21-5-7-22(8-6-21)36-19-31-27(34-36)26-4-2-3-10-29-26;1-17-26-16-31(29-17)20-5-3-19(4-6-20)27-24-25-8-7-23(28-24)18-13-21(30-9-11-34-12-10-30)15-22(14-18)35(2,32)33/h3-10,15-19H,11-14H2,1-2H3,(H,30,33,34);1-8,13-15,17-18H,9-12H2,(H,31,34,35);4-9,15-17,19,24,37H,2-3,10-14,18H2,1H3,(H,29,31,32);2-11,16-19H,12-15H2,1H3,(H,30,32,33);3-8,13-16H,9-12H2,1-2H3,(H,25,27,28)
• InChIKey: BEYFUBBUVMIVMI-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 627.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Rotatable Bonds: 33
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2711.10
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?

The IUPAC name of 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol (CID 157327890) is 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol.

What is the SMILES notation for 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?

The canonical SMILES for 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol is CS(=O)(=O)c1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCOCC2)c1.CS(=O)(=O)c1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCCC(O)C5)n4)cc3)n2)cc(N2CCOCC2)c1.Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(N6CCOCC6)cc(S(C)(=O)=O)c5)n4)cc3)n2)nc1.Cc1ncn(-c2ccc(Nc3nccc(-c4cc(N5CCOCC5)cc(S(C)(=O)=O)c4)n3)cc2)n1.N#Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)nc1.

What is the InChIKey of 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?

The InChIKey is BEYFUBBUVMIVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O3S.C28H22FN9O.C28H32N8O4S.C28H26N8O3S.C24H25N7O3S/c1-20-3-8-27(31-18-20)28-32-19-37(35-28)23-6-4-22(5-7-23)33-29-30-10-9-26(34-29)21-15-24(36-11-13-40-14-12-36)17-25(16-21)41(2,38)39;29-21-13-20(14-24(15-21)37-9-11-39-12-10-37)25-7-8-31-28(35-25)34-22-2-4-23(5-3-22)38-18-33-27(36-38)26-6-1-19(16-30)17-32-26;1-41(38,39)25-16-20(15-23(17-25)34-11-13-40-14-12-34)26-8-9-29-27(32-26)31-21-4-6-22(7-5-21)36-19-30-28(33-36)35-10-2-3-24(37)18-35;1-40(37,38)24-17-20(16-23(18-24)35-12-14-39-15-13-35)25-9-11-30-28(33-25)32-21-5-7-22(8-6-21)36-19-31-27(34-36)26-4-2-3-10-29-26;1-17-26-16-31(29-17)20-5-3-19(4-6-20)27-24-25-8-7-23(28-24)18-13-21(30-9-11-34-12-10-30)15-22(14-18)35(2,32)33/h3-10,15-19H,11-14H2,1-2H3,(H,30,33,34);1-8,13-15,17-18H,9-12H2,(H,31,34,35);4-9,15-17,19,24,37H,2-3,10-14,18H2,1H3,(H,29,31,32);2-11,16-19H,12-15H2,1H3,(H,30,32,33);3-8,13-16H,9-12H2,1-2H3,(H,25,27,28).

What are the key properties of 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol?

6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol has a molecular weight of 2711.10 g/mol, XLogP of 17.91, 33 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]pyridine-3-carbonitrile;N-[4-[3-(5-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-3-ol is sourced from PubChem (CID 157327890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).