6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C134H138Cl2N34O8S2 — CID 157289611

About 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157289611) has the molecular formula C134H138Cl2N34O8S2 and a molecular weight of 2487.85 g/mol. Its IUPAC name is 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157289611
• Molecular Formula: C134H138Cl2N34O8S2
• Molecular Weight: 2487.85 g/mol
• Exact Mass: 2485.03
• IUPAC Name: 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cccnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cnccn6)cc5Cl)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)CC1.Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2nccs2)c1=O
• InChI: InChI=1S/C35H38ClN9O2.C35H36ClN9O2.C33H32N8OS2.C31H32N8O3/c1-43(29-5-3-11-38-23-29)28-8-6-27(7-9-28)41-35-40-22-26-18-30(32-31(36)19-25(21-39-32)24-4-2-10-37-20-24)34(46)45(33(26)42-35)13-12-44-14-16-47-17-15-44;1-43-16-10-27(11-17-43)40-25-5-7-26(8-6-25)41-35-39-20-24-18-29(28-9-4-23(19-30(28)36)31-21-37-12-13-38-31)34(47)45(33(24)42-35)22-32(46)44-14-2-3-15-44;1-21-29(38-31(44-21)22-6-4-3-5-7-22)27-18-23-19-36-33(39-30(23)41(32(27)42)20-28-35-16-17-43-28)37-24-8-10-25(11-9-24)40(2)26-12-14-34-15-13-26;1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27/h2,4,6-10,18-22,29,38H,3,5,11-17,23H2,1H3,(H,40,41,42);4-9,12-13,18-21,27,40H,2-3,10-11,14-17,22H2,1H3,(H,39,41,42);3-11,16-19,26,34H,12-15,20H2,1-2H3,(H,36,37,39);7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36)
• InChIKey: BAQLOIAMJNINKW-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 459.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.85
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 157289611) is 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cccnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cnccn6)cc5Cl)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)CC1.Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2nccs2)c1=O.

What is the InChIKey of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BAQLOIAMJNINKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClN9O2.C35H36ClN9O2.C33H32N8OS2.C31H32N8O3/c1-43(29-5-3-11-38-23-29)28-8-6-27(7-9-28)41-35-40-22-26-18-30(32-31(36)19-25(21-39-32)24-4-2-10-37-20-24)34(46)45(33(26)42-35)13-12-44-14-16-47-17-15-44;1-43-16-10-27(11-17-43)40-25-5-7-26(8-6-25)41-35-39-20-24-18-29(28-9-4-23(19-30(28)36)31-21-37-12-13-38-31)34(47)45(33(24)42-35)22-32(46)44-14-2-3-15-44;1-21-29(38-31(44-21)22-6-4-3-5-7-22)27-18-23-19-36-33(39-30(23)41(32(27)42)20-28-35-16-17-43-28)37-24-8-10-25(11-9-24)40(2)26-12-14-34-15-13-26;1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27/h2,4,6-10,18-22,29,38H,3,5,11-17,23H2,1H3,(H,40,41,42);4-9,12-13,18-21,27,40H,2-3,10-11,14-17,22H2,1H3,(H,39,41,42);3-11,16-19,26,34H,12-15,20H2,1-2H3,(H,36,37,39);7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36).

What are the key properties of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2487.85 g/mol, XLogP of 21.67, 31 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157289611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).