2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine

C103H72F4N30O4 — CID 165095468

About 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine

2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine (PubChem CID 165095468) has the molecular formula C103H72F4N30O4 and a molecular weight of 1869.91 g/mol. Its IUPAC name is 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine
• PubChem CID: 165095468
• Molecular Formula: C103H72F4N30O4
• Molecular Weight: 1869.91 g/mol
• Exact Mass: 1868.63
• IUPAC Name: 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine
• SMILES: CCCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.FC(F)(F)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Fc1cc(Nc2nc(-c3ccncc3)nc3ncccc23)cc2cc[nH]c12
• InChI: InChI=1S/C22H18N6O.C21H16N6O.C20H11F3N6O.C20H13FN6.C20H14N6O/c1-2-4-19-26-17-7-6-15(13-18(17)29-19)25-22-16-5-3-10-24-21(16)27-20(28-22)14-8-11-23-12-9-14;1-2-18-25-16-6-5-14(12-17(16)28-18)24-21-15-4-3-9-23-20(15)26-19(27-21)13-7-10-22-11-8-13;21-20(22,23)19-27-14-4-3-12(10-15(14)30-19)26-18-13-2-1-7-25-17(13)28-16(29-18)11-5-8-24-9-6-11;21-16-11-14(10-13-5-9-23-17(13)16)25-20-15-2-1-6-24-19(15)26-18(27-20)12-3-7-22-8-4-12;1-12-23-16-5-4-14(11-17(16)27-12)24-20-15-3-2-8-22-19(15)25-18(26-20)13-6-9-21-10-7-13/h3,5-13H,2,4H2,1H3,(H,24,25,27,28);3-12H,2H2,1H3,(H,23,24,26,27);1-10H,(H,25,26,28,29);1-11,23H,(H,24,25,26,27);2-11H,1H3,(H,22,24,25,26)
• InChIKey: XKSAOVOISGOLQE-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 437.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1869.91
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine?

The IUPAC name of 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine (CID 165095468) is 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine.

What is the SMILES notation for 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine?

The canonical SMILES for 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine is CCCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.FC(F)(F)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1.Fc1cc(Nc2nc(-c3ccncc3)nc3ncccc23)cc2cc[nH]c12.

What is the InChIKey of 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine?

The InChIKey is XKSAOVOISGOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O.C21H16N6O.C20H11F3N6O.C20H13FN6.C20H14N6O/c1-2-4-19-26-17-7-6-15(13-18(17)29-19)25-22-16-5-3-10-24-21(16)27-20(28-22)14-8-11-23-12-9-14;1-2-18-25-16-6-5-14(12-17(16)28-18)24-21-15-4-3-9-23-20(15)26-19(27-21)13-7-10-22-11-8-13;21-20(22,23)19-27-14-4-3-12(10-15(14)30-19)26-18-13-2-1-7-25-17(13)28-16(29-18)11-5-8-24-9-6-11;21-16-11-14(10-13-5-9-23-17(13)16)25-20-15-2-1-6-24-19(15)26-18(27-20)12-3-7-22-8-4-12;1-12-23-16-5-4-14(11-17(16)27-12)24-20-15-3-2-8-22-19(15)25-18(26-20)13-6-9-21-10-7-13/h3,5-13H,2,4H2,1H3,(H,24,25,27,28);3-12H,2H2,1H3,(H,23,24,26,27);1-10H,(H,25,26,28,29);1-11,23H,(H,24,25,26,27);2-11H,1H3,(H,22,24,25,26).

What are the key properties of 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine?

2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine has a molecular weight of 1869.91 g/mol, XLogP of 23.18, 18 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(7-fluoro-1H-indol-5-yl)-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;2-propyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzoxazol-6-amine;N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-2-(trifluoromethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 165095468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).