6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C111H112F7N25O5 — CID 162127259

About 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162127259) has the molecular formula C111H112F7N25O5 and a molecular weight of 2009.27 g/mol. Its IUPAC name is 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162127259
• Molecular Formula: C111H112F7N25O5
• Molecular Weight: 2009.27 g/mol
• Exact Mass: 2007.92
• IUPAC Name: 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21
• InChI: InChI=1S/C29H29F3N6O.C28H29FN6O.C27H27F2N7O.C27H27FN6O2/c1-2-38-26-21(12-23(27(38)39)25-24(29(30,31)32)13-20(15-34-25)18-5-6-18)16-35-28(37-26)36-22-9-7-17(8-10-22)19-4-3-11-33-14-19;1-2-35-26-21(13-23(27(35)36)25-24(29)14-20(15-31-25)18-3-4-18)16-32-28(34-26)33-22-7-5-17(6-8-22)19-9-11-30-12-10-19;1-2-36-25-18(11-20(26(36)37)24-22(29)12-17(14-31-24)16-3-4-16)15-32-27(34-25)33-19-5-6-23(21(28)13-19)35-9-7-30-8-10-35;1-2-34-25-19(11-21(26(34)35)24-22(28)12-18(13-30-24)16-3-4-16)14-31-27(33-25)32-20-7-5-17(6-8-20)23-15-29-9-10-36-23/h7-10,12-13,15-16,18-19,33H,2-6,11,14H2,1H3,(H,35,36,37);5-8,13-16,18-19,30H,2-4,9-12H2,1H3,(H,32,33,34);5-6,11-16,30H,2-4,7-10H2,1H3,(H,32,33,34);5-8,11-14,16,23,29H,2-4,9-10,15H2,1H3,(H,31,32,33)
• InChIKey: ZIEVMMJKTVOYFR-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 351.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.27
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 162127259) is 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.

What is the InChIKey of 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ZIEVMMJKTVOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O.C28H29FN6O.C27H27F2N7O.C27H27FN6O2/c1-2-38-26-21(12-23(27(38)39)25-24(29(30,31)32)13-20(15-34-25)18-5-6-18)16-35-28(37-26)36-22-9-7-17(8-10-22)19-4-3-11-33-14-19;1-2-35-26-21(13-23(27(35)36)25-24(29)14-20(15-31-25)18-3-4-18)16-32-28(34-26)33-22-7-5-17(6-8-22)19-9-11-30-12-10-19;1-2-36-25-18(11-20(26(36)37)24-22(29)12-17(14-31-24)16-3-4-16)15-32-27(34-25)33-19-5-6-23(21(28)13-19)35-9-7-30-8-10-35;1-2-34-25-19(11-21(26(34)35)24-22(28)12-18(13-30-24)16-3-4-16)14-31-27(33-25)32-20-7-5-17(6-8-20)23-15-29-9-10-36-23/h7-10,12-13,15-16,18-19,33H,2-6,11,14H2,1H3,(H,35,36,37);5-8,13-16,18-19,30H,2-4,9-12H2,1H3,(H,32,33,34);5-6,11-16,30H,2-4,7-10H2,1H3,(H,32,33,34);5-8,11-14,16,23,29H,2-4,9-10,15H2,1H3,(H,31,32,33).

What are the key properties of 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2009.27 g/mol, XLogP of 19.56, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162127259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).