4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

C111H114FN33O5 — CID 157314673

About 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 157314673) has the molecular formula C111H114FN33O5 and a molecular weight of 2009.36 g/mol. Its IUPAC name is 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
• PubChem CID: 157314673
• Molecular Formula: C111H114FN33O5
• Molecular Weight: 2009.36 g/mol
• Exact Mass: 2007.97
• IUPAC Name: 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
• SMILES: COC1CCN(c2cc(C#N)cc(-c3ccnc(Nc4ccc(-n5cnc(C)n5)cc4)n3)c2)CC1.COC1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1.Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(C#N)cc(N6CCCC(O)C6)c5)n4)cc3)n2)cn1.c1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCCCC5)n4)cc3)n2)cc(N2CCOCC2)c1
• InChI: InChI=1S/C30H27N9O.C28H31FN8O2.C27H30N8O.C26H26N8O/c1-20-4-5-22(17-33-20)29-34-19-39(37-29)25-8-6-24(7-9-25)35-30-32-11-10-28(36-30)23-13-21(16-31)14-26(15-23)38-12-2-3-27(40)18-38;1-38-25-7-10-36(11-8-25)28-31-19-37(34-28)23-4-2-22(3-5-23)32-27-30-9-6-26(33-27)20-16-21(29)18-24(17-20)35-12-14-39-15-13-35;1-2-13-34(14-3-1)27-29-20-35(32-27)23-9-7-22(8-10-23)30-26-28-12-11-25(31-26)21-5-4-6-24(19-21)33-15-17-36-18-16-33;1-18-29-17-34(32-18)22-5-3-21(4-6-22)30-26-28-10-7-25(31-26)20-13-19(16-27)14-23(15-20)33-11-8-24(35-2)9-12-33/h4-11,13-15,17,19,27,40H,2-3,12,18H2,1H3,(H,32,35,36);2-6,9,16-19,25H,7-8,10-15H2,1H3,(H,30,32,33);4-12,19-20H,1-3,13-18H2,(H,28,30,31);3-7,10,13-15,17,24H,8-9,11-12H2,1-2H3,(H,28,30,31)
• InChIKey: BDLKGCDLBFUBBK-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 411.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.36
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The IUPAC name of 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (CID 157314673) is 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.

What is the SMILES notation for 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The canonical SMILES for 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is COC1CCN(c2cc(C#N)cc(-c3ccnc(Nc4ccc(-n5cnc(C)n5)cc4)n3)c2)CC1.COC1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1.Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(C#N)cc(N6CCCC(O)C6)c5)n4)cc3)n2)cn1.c1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCCCC5)n4)cc3)n2)cc(N2CCOCC2)c1.

What is the InChIKey of 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The InChIKey is BDLKGCDLBFUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O.C28H31FN8O2.C27H30N8O.C26H26N8O/c1-20-4-5-22(17-33-20)29-34-19-39(37-29)25-8-6-24(7-9-25)35-30-32-11-10-28(36-30)23-13-21(16-31)14-26(15-23)38-12-2-3-27(40)18-38;1-38-25-7-10-36(11-8-25)28-31-19-37(34-28)23-4-2-22(3-5-23)32-27-30-9-6-26(33-27)20-16-21(29)18-24(17-20)35-12-14-39-15-13-35;1-2-13-34(14-3-1)27-29-20-35(32-27)23-9-7-22(8-10-23)30-26-28-12-11-25(31-26)21-5-4-6-24(19-21)33-15-17-36-18-16-33;1-18-29-17-34(32-18)22-5-3-21(4-6-22)30-26-28-10-7-25(31-26)20-13-19(16-27)14-23(15-20)33-11-8-24(35-2)9-12-33/h4-11,13-15,17,19,27,40H,2-3,12,18H2,1H3,(H,32,35,36);2-6,9,16-19,25H,7-8,10-15H2,1H3,(H,30,32,33);4-12,19-20H,1-3,13-18H2,(H,28,30,31);3-7,10,13-15,17,24H,8-9,11-12H2,1-2H3,(H,28,30,31).

What are the key properties of 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 2009.36 g/mol, XLogP of 17.29, 25 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]benzonitrile;3-(4-methoxypiperidin-1-yl)-5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-(3-morpholin-4-ylphenyl)-N-[4-(3-piperidin-1-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157314673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).