6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C114H118Cl4FN23O5 — CID 157468360

About 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157468360) has the molecular formula C114H118Cl4FN23O5 and a molecular weight of 2051.16 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157468360
• Molecular Formula: C114H118Cl4FN23O5
• Molecular Weight: 2051.16 g/mol
• Exact Mass: 2047.84
• IUPAC Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21
• InChI: InChI=1S/C30H32ClN5O.C29H30ClN5O2.C28H29ClN6O.C27H27ClFN7O/c1-3-36-28-23(16-26(29(36)37)25-11-8-22(17-27(25)31)20-4-5-20)18-32-30(34-28)33-24-9-6-19(7-10-24)21-12-14-35(2)15-13-21;1-3-35-27-21(14-24(28(35)36)23-11-8-20(15-25(23)30)18-4-5-18)16-31-29(33-27)32-22-9-6-19(7-10-22)26-17-34(2)12-13-37-26;1-2-35-26-21(12-23(27(35)36)25-24(29)13-20(15-31-25)18-5-6-18)16-32-28(34-26)33-22-9-7-17(8-10-22)19-4-3-11-30-14-19;1-2-36-25-18(11-20(26(36)37)24-21(28)12-17(14-31-24)16-3-4-16)15-32-27(34-25)33-19-5-6-23(22(29)13-19)35-9-7-30-8-10-35/h6-11,16-18,20-21H,3-5,12-15H2,1-2H3,(H,32,33,34);6-11,14-16,18,26H,3-5,12-13,17H2,1-2H3,(H,31,32,33);7-10,12-13,15-16,18-19,30H,2-6,11,14H2,1H3,(H,32,33,34);5-6,11-16,30H,2-4,7-10H2,1H3,(H,32,33,34)
• InChIKey: BUSUIEWRCQHDOU-UHFFFAOYSA-N
• XLogP: 22.63
• TPSA: 308.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.16
LogP ≤ 5	22.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157468360) is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.

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

The InChIKey is BUSUIEWRCQHDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN5O.C29H30ClN5O2.C28H29ClN6O.C27H27ClFN7O/c1-3-36-28-23(16-26(29(36)37)25-11-8-22(17-27(25)31)20-4-5-20)18-32-30(34-28)33-24-9-6-19(7-10-24)21-12-14-35(2)15-13-21;1-3-35-27-21(14-24(28(35)36)23-11-8-20(15-25(23)30)18-4-5-18)16-31-29(33-27)32-22-9-6-19(7-10-22)26-17-34(2)12-13-37-26;1-2-35-26-21(12-23(27(35)36)25-24(29)13-20(15-31-25)18-5-6-18)16-32-28(34-26)33-22-9-7-17(8-10-22)19-4-3-11-30-14-19;1-2-36-25-18(11-20(26(36)37)24-21(28)12-17(14-31-24)16-3-4-16)15-32-27(34-25)33-19-5-6-23(22(29)13-19)35-9-7-30-8-10-35/h6-11,16-18,20-21H,3-5,12-15H2,1-2H3,(H,32,33,34);6-11,14-16,18,26H,3-5,12-13,17H2,1-2H3,(H,31,32,33);7-10,12-13,15-16,18-19,30H,2-6,11,14H2,1H3,(H,32,33,34);5-6,11-16,30H,2-4,7-10H2,1H3,(H,32,33,34).

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

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2051.16 g/mol, XLogP of 22.63, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-cyclopropyl-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157468360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).