8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C125H128N28O7S4 — CID 157285449

About 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157285449) has the molecular formula C125H128N28O7S4 and a molecular weight of 2262.86 g/mol. Its IUPAC name is 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157285449
• Molecular Formula: C125H128N28O7S4
• Molecular Weight: 2262.86 g/mol
• Exact Mass: 2260.94
• IUPAC Name: 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2scnc2C2=CCCC2)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2sccc2-c2nccs2)c1=O)C1CCOCC1.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5ccsc5C5CCNC5)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nnn(C)c2-c2ccncc2)c1=O
• InChI: InChI=1S/C34H33N9O2.C32H33N7O2S2.C31H36N6OS.C28H26N6O2S/c1-22-6-3-4-8-29(22)45-30-18-26-20-37-34(38-27-11-9-23(10-12-27)25-7-5-15-36-19-25)39-32(26)43(33(30)44)21-28-31(42(2)41-40-28)24-13-16-35-17-14-24;1-21(22-6-14-41-15-7-22)27-18-23-19-35-32(36-24-2-4-25(5-3-24)38-12-9-33-10-13-38)37-29(23)39(31(27)40)20-28-26(8-16-42-28)30-34-11-17-43-30;1-36-13-2-3-23(18-36)20-6-8-26(9-7-20)34-31-33-17-25-15-27(21-4-5-21)30(38)37(29(25)35-31)19-24-11-14-39-28(24)22-10-12-32-16-22;1-2-18-13-21-14-30-28(32-22-9-7-19(8-10-22)23-15-29-11-12-36-23)33-26(21)34(27(18)35)16-24-25(31-17-37-24)20-5-3-4-6-20/h3-4,6,8-14,16-18,20,25,36H,5,7,15,19,21H2,1-2H3,(H,37,38,39);2-5,8,11,16-19,22,33H,1,6-7,9-10,12-15,20H2,(H,35,36,37);6-9,11,14-15,17,21-23,32H,2-5,10,12-13,16,18-19H2,1H3,(H,33,34,35);1,5,7-10,13-14,17,23,29H,3-4,6,11-12,15-16H2,(H,30,32,33)
• InChIKey: BAEHTQGZEQEBAQ-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 390.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2262.86
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 157285449) is 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2scnc2C2=CCCC2)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2sccc2-c2nccs2)c1=O)C1CCOCC1.CN1CCCC(c2ccc(Nc3ncc4cc(C5CC5)c(=O)n(Cc5ccsc5C5CCNC5)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2nnn(C)c2-c2ccncc2)c1=O.

What is the InChIKey of 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BAEHTQGZEQEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N9O2.C32H33N7O2S2.C31H36N6OS.C28H26N6O2S/c1-22-6-3-4-8-29(22)45-30-18-26-20-37-34(38-27-11-9-23(10-12-27)25-7-5-15-36-19-25)39-32(26)43(33(30)44)21-28-31(42(2)41-40-28)24-13-16-35-17-14-24;1-21(22-6-14-41-15-7-22)27-18-23-19-35-32(36-24-2-4-25(5-3-24)38-12-9-33-10-13-38)37-29(23)39(31(27)40)20-28-26(8-16-42-28)30-34-11-17-43-30;1-36-13-2-3-23(18-36)20-6-8-26(9-7-20)34-31-33-17-25-15-27(21-4-5-21)30(38)37(29(25)35-31)19-24-11-14-39-28(24)22-10-12-32-16-22;1-2-18-13-21-14-30-28(32-22-9-7-19(8-10-22)23-15-29-11-12-36-23)33-26(21)34(27(18)35)16-24-25(31-17-37-24)20-5-3-4-6-20/h3-4,6,8-14,16-18,20,25,36H,5,7,15,19,21H2,1-2H3,(H,37,38,39);2-5,8,11,16-19,22,33H,1,6-7,9-10,12-15,20H2,(H,35,36,37);6-9,11,14-15,17,21-23,32H,2-5,10,12-13,16,18-19H2,1H3,(H,33,34,35);1,5,7-10,13-14,17,23,29H,3-4,6,11-12,15-16H2,(H,30,32,33).

What are the key properties of 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2262.86 g/mol, XLogP of 20.62, 29 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[4-(cyclopenten-1-yl)-1,3-thiazol-5-yl]methyl]-6-ethynyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-[(1-methyl-5-pyridin-4-yltriazol-4-yl)methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)-8-[[3-(1,3-thiazol-2-yl)thiophen-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157285449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).