8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C119H125ClN26O12 — CID 157413286

About 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 157413286) has the molecular formula C119H125ClN26O12 and a molecular weight of 2146.93 g/mol. Its IUPAC name is 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 157413286
• Molecular Formula: C119H125ClN26O12
• Molecular Weight: 2146.93 g/mol
• Exact Mass: 2144.97
• IUPAC Name: 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: CC1=C(C#Cc2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)N=CC1.CCc1ncoc1Cn1c(=O)c(C#CC2CCCCO2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ncoc2Cl)c1=O.Cc1oncc1Cn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C31H27ClN6O3.C31H34N6O4.C29H28N8O3.C28H30N6O2.3H2/c1-20-4-2-3-5-21(20)6-7-22-16-23-17-34-31(37-29(23)38(30(22)39)18-27-28(32)40-19-35-27)36-24-8-10-25(11-9-24)41-26-12-14-33-15-13-26;1-2-27-28(40-20-34-27)19-37-29-22(16-21(30(37)38)8-11-24-6-3-4-15-39-24)17-33-31(36-29)35-23-9-12-25(13-10-23)41-26-7-5-14-32-18-26;1-19-23(16-32-40-19)17-37-27-22(14-21(28(37)38)6-9-26-30-10-11-36(26)3)15-31-29(34-27)33-24-7-4-20(5-8-24)25-18-35(2)12-13-39-25;1-18(2)34-26-21(15-20(27(34)35)5-10-25-19(3)11-13-29-25)16-30-28(32-26)31-22-6-8-23(9-7-22)36-24-12-14-33(4)17-24;;;/h2-5,8-11,16-17,19,26,33H,12-15,18H2,1H3,(H,34,36,37);9-10,12-13,16-17,20,24,26,32H,2-7,14-15,18-19H2,1H3,(H,33,35,36);4-5,7-8,10-11,14-16,25H,12-13,17-18H2,1-3H3,(H,31,33,34);6-9,13,15-16,18,24H,11-12,14,17H2,1-4H3,(H,30,31,32);3*1H
• InChIKey: BONTVDSDXDOMJG-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 424.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.93
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 157413286) is 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is CC1=C(C#Cc2cc3cnc(Nc4ccc(OC5CCN(C)C5)cc4)nc3n(C(C)C)c2=O)N=CC1.CCc1ncoc1Cn1c(=O)c(C#CC2CCCCO2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ncoc2Cl)c1=O.Cc1oncc1Cn1c(=O)c(C#Cc2nccn2C)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.[H][H].[H][H].[H][H].

What is the InChIKey of 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is BONTVDSDXDOMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN6O3.C31H34N6O4.C29H28N8O3.C28H30N6O2.3H2/c1-20-4-2-3-5-21(20)6-7-22-16-23-17-34-31(37-29(23)38(30(22)39)18-27-28(32)40-19-35-27)36-24-8-10-25(11-9-24)41-26-12-14-33-15-13-26;1-2-27-28(40-20-34-27)19-37-29-22(16-21(30(37)38)8-11-24-6-3-4-15-39-24)17-33-31(36-29)35-23-9-12-25(13-10-23)41-26-7-5-14-32-18-26;1-19-23(16-32-40-19)17-37-27-22(14-21(28(37)38)6-9-26-30-10-11-36(26)3)15-31-29(34-27)33-24-7-4-20(5-8-24)25-18-35(2)12-13-39-25;1-18(2)34-26-21(15-20(27(34)35)5-10-25-19(3)11-13-29-25)16-30-28(32-26)31-22-6-8-23(9-7-22)36-24-12-14-33(4)17-24;;;/h2-5,8-11,16-17,19,26,33H,12-15,18H2,1H3,(H,34,36,37);9-10,12-13,16-17,20,24,26,32H,2-7,14-15,18-19H2,1H3,(H,33,35,36);4-5,7-8,10-11,14-16,25H,12-13,17-18H2,1-3H3,(H,31,33,34);6-9,13,15-16,18,24H,11-12,14,17H2,1-4H3,(H,30,31,32);3*1H.

What are the key properties of 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2146.93 g/mol, XLogP of 17.30, 23 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5-chloro-1,3-oxazol-4-yl)methyl]-6-[2-(2-methylphenyl)ethynyl]-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(4-ethyl-1,3-oxazol-5-yl)methyl]-6-[2-(oxan-2-yl)ethynyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 157413286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).