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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C144H136Cl4F3N29O7S3 — CID 160555142

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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160555142) has the molecular formula C144H136Cl4F3N29O7S3 and a molecular weight of 2679.87 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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160555142
• Molecular Formula: C144H136Cl4F3N29O7S3
• Molecular Weight: 2679.87 g/mol
• Exact Mass: 2675.90
• 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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4=CNCCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21
• InChI: InChI=1S/C29H27ClN6OS.C29H25ClN6OS.C29H30ClN5O2.C29H29F3N6O.C28H25ClN6O2S/c1-2-36-27-21(13-24(28(36)37)23-8-5-20(14-25(23)30)26-16-32-17-38-26)15-33-29(35-27)34-22-6-3-18(4-7-22)19-9-11-31-12-10-19;1-2-36-27-21(12-24(28(36)37)23-10-7-19(13-25(23)30)26-16-32-17-38-26)15-33-29(35-27)34-22-8-5-18(6-9-22)20-4-3-11-31-14-20;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;1-2-38-26-21(13-23(27(38)39)25-24(29(30,31)32)14-20(15-34-25)18-3-4-18)16-35-28(37-26)36-22-7-5-17(6-8-22)19-9-11-33-12-10-19;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)24-15-38-16-32-24)13-31-28(34-26)33-20-6-3-17(4-7-20)25-14-30-9-10-37-25/h3-8,13-17,19,31H,2,9-12H2,1H3,(H,33,34,35);5-10,12-17,31H,2-4,11H2,1H3,(H,33,34,35);6-11,14-16,18,26H,3-5,12-13,17H2,1-2H3,(H,31,32,33);5-8,13-16,18-19,33H,2-4,9-12H2,1H3,(H,35,36,37);3-8,11-13,15-16,25,30H,2,9-10,14H2,1H3,(H,31,33,34)
• InChIKey: QYOVCJNQFNJYIX-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 420.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2679.87
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 160555142) 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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4=CNCCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2C(F)(F)F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is QYOVCJNQFNJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6OS.C29H25ClN6OS.C29H30ClN5O2.C29H29F3N6O.C28H25ClN6O2S/c1-2-36-27-21(13-24(28(36)37)23-8-5-20(14-25(23)30)26-16-32-17-38-26)15-33-29(35-27)34-22-6-3-18(4-7-22)19-9-11-31-12-10-19;1-2-36-27-21(12-24(28(36)37)23-10-7-19(13-25(23)30)26-16-32-17-38-26)15-33-29(35-27)34-22-8-5-18(6-9-22)20-4-3-11-31-14-20;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;1-2-38-26-21(13-23(27(38)39)25-24(29(30,31)32)14-20(15-34-25)18-3-4-18)16-35-28(37-26)36-22-7-5-17(6-8-22)19-9-11-33-12-10-19;1-2-35-26-19(11-22(27(35)36)21-8-5-18(12-23(21)29)24-15-38-16-32-24)13-31-28(34-26)33-20-6-3-17(4-7-20)25-14-30-9-10-37-25/h3-8,13-17,19,31H,2,9-12H2,1H3,(H,33,34,35);5-10,12-17,31H,2-4,11H2,1H3,(H,33,34,35);6-11,14-16,18,26H,3-5,12-13,17H2,1-2H3,(H,31,32,33);5-8,13-16,18-19,33H,2-4,9-12H2,1H3,(H,35,36,37);3-8,11-13,15-16,25,30H,2,9-10,14H2,1H3,(H,31,33,34).

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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2679.87 g/mol, XLogP of 30.58, 30 rotatable bonds, 9 hydrogen bond donors, and 39 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-(1,3-thiazol-4-yl)phenyl]-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(1,2,3,4-tetrahydropyridin-5-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160555142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).