6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C122H125ClN26O6S3 — CID 157274102

About 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157274102) has the molecular formula C122H125ClN26O6S3 and a molecular weight of 2183.17 g/mol. Its IUPAC name is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157274102
• Molecular Formula: C122H125ClN26O6S3
• Molecular Weight: 2183.17 g/mol
• Exact Mass: 2180.91
• IUPAC Name: 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccs3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.Cc1cc(-c2cncs2)ncc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O
• InChI: InChI=1S/C33H34N8O3S.C30H29ClN6OS.C30H30N6OS.C29H32N6O/c1-21-13-28(29-17-34-20-45-29)35-16-27(21)26-14-22-15-36-33(37-23-5-7-24(8-6-23)44-25-9-12-39(2)18-25)38-31(22)41(32(26)43)19-30(42)40-10-3-4-11-40;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-3-36-28-23(19-26(29(36)37)21-6-8-22(9-7-21)27-5-4-18-38-27)20-31-30(33-28)32-24-10-12-25(13-11-24)35-16-14-34(2)15-17-35;1-3-35-27-23(18-26(28(35)36)22-8-6-21(7-9-22)20-4-5-20)19-30-29(32-27)31-24-10-12-25(13-11-24)34-16-14-33(2)15-17-34/h5-8,13-17,20,25H,3-4,9-12,18-19H2,1-2H3,(H,36,37,38);4-11,16-19H,3,12-15H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);6-13,18-20H,3-5,14-17H2,1-2H3,(H,30,31,32)
• InChIKey: AYWPCGPWJZPNOA-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 317.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2183.17
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	4
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-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 157274102) is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccs3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.Cc1cc(-c2cncs2)ncc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.

What is the InChIKey of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AYWPCGPWJZPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N8O3S.C30H29ClN6OS.C30H30N6OS.C29H32N6O/c1-21-13-28(29-17-34-20-45-29)35-16-27(21)26-14-22-15-36-33(37-23-5-7-24(8-6-23)44-25-9-12-39(2)18-25)38-31(22)41(32(26)43)19-30(42)40-10-3-4-11-40;1-3-37-28-21(17-25(29(37)38)24-11-6-20(18-26(24)31)27-5-4-16-39-27)19-32-30(34-28)33-22-7-9-23(10-8-22)36-14-12-35(2)13-15-36;1-3-36-28-23(19-26(29(36)37)21-6-8-22(9-7-21)27-5-4-18-38-27)20-31-30(33-28)32-24-10-12-25(13-11-24)35-16-14-34(2)15-17-35;1-3-35-27-23(18-26(28(35)36)22-8-6-21(7-9-22)20-4-5-20)19-30-29(32-27)31-24-10-12-25(13-11-24)34-16-14-33(2)15-17-34/h5-8,13-17,20,25H,3-4,9-12,18-19H2,1-2H3,(H,36,37,38);4-11,16-19H,3,12-15H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);6-13,18-20H,3-5,14-17H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2183.17 g/mol, XLogP of 21.64, 26 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157274102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).