6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C119H123Cl3N28O5S2 — CID 159308190

About 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159308190) has the molecular formula C119H123Cl3N28O5S2 and a molecular weight of 2195.98 g/mol. Its IUPAC name is 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159308190
• Molecular Formula: C119H123Cl3N28O5S2
• Molecular Weight: 2195.98 g/mol
• Exact Mass: 2192.87
• IUPAC Name: 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C31H30ClN7OS.C30H30ClN7O.C29H28ClN7O2.C29H35N7OS/c1-2-39-29-21(15-26(30(39)40)25-10-3-20(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-22-4-6-23(7-5-22)37-11-13-38(14-12-37)24-8-9-24;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36;1-3-36-26-21(17-24(28(36)37)25-19-30-27(38-25)20-7-5-4-6-8-20)18-31-29(33-26)32-22-9-11-23(12-10-22)35-15-13-34(2)14-16-35/h3-7,10,15-19,24H,2,8-9,11-14H2,1H3,(H,33,35,36);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34);9-12,17-20H,3-8,13-16H2,1-2H3,(H,31,32,33)
• InChIKey: LCEOGFDHHAVJMN-UHFFFAOYSA-N
• XLogP: 22.67
• TPSA: 332.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.98
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159308190) is 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cscn3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2cnc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LCEOGFDHHAVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN7OS.C30H30ClN7O.C29H28ClN7O2.C29H35N7OS/c1-2-39-29-21(15-26(30(39)40)25-10-3-20(16-27(25)32)28-18-41-19-34-28)17-33-31(36-29)35-22-4-6-23(7-5-22)37-11-13-38(14-12-37)24-8-9-24;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36;1-3-36-26-21(17-24(28(36)37)25-19-30-27(38-25)20-7-5-4-6-8-20)18-31-29(33-26)32-22-9-11-23(12-10-22)35-15-13-34(2)14-16-35/h3-7,10,15-19,24H,2,8-9,11-14H2,1H3,(H,33,35,36);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34);9-12,17-20H,3-8,13-16H2,1-2H3,(H,31,32,33).

What are the key properties of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2195.98 g/mol, XLogP of 22.67, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-4-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclohexyl-1,3-thiazol-5-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159308190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).