6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

C179H198N40O6S2 — CID 159029565

About 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one

6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159029565) has the molecular formula C179H198N40O6S2 and a molecular weight of 3069.96 g/mol. Its IUPAC name is 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159029565
• Molecular Formula: C179H198N40O6S2
• Molecular Weight: 3069.96 g/mol
• Exact Mass: 3067.59
• IUPAC Name: 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccccc2-c2cccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2nccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCN(C)C2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCNC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C31H37N7O.2C30H35N7O.C30H30N6OS.C29H29N7OS.C29H32N6O/c1-4-38-29-23(19-28(30(38)39)27-8-6-5-7-26(27)22-13-14-36(3)21-22)20-32-31(34-29)33-24-9-11-25(12-10-24)37-17-15-35(2)16-18-37;1-3-37-28-21(19-26(29(37)38)24-7-4-5-8-25(24)27-9-6-14-31-27)20-32-30(34-28)33-22-10-12-23(13-11-22)36-17-15-35(2)16-18-36;1-3-37-28-22(18-27(29(37)38)26-7-5-4-6-25(26)21-12-13-31-19-21)20-32-30(34-28)33-23-8-10-24(11-9-23)36-16-14-35(2)15-17-36;1-3-36-28-21(19-26(29(36)37)24-7-4-5-8-25(24)27-9-6-18-38-27)20-31-30(33-28)32-22-10-12-23(13-11-22)35-16-14-34(2)15-17-35;1-3-36-26-20(18-25(28(36)37)23-6-4-5-7-24(23)27-30-12-17-38-27)19-31-29(33-26)32-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35;1-3-35-27-21(18-26(28(35)36)25-7-5-4-6-24(25)20-8-9-20)19-30-29(32-27)31-22-10-12-23(13-11-22)34-16-14-33(2)15-17-34/h5-12,19-20,22H,4,13-18,21H2,1-3H3,(H,32,33,34);4-5,7-8,10-13,19-20,27,31H,3,6,9,14-18H2,1-2H3,(H,32,33,34);4-11,18,20-21,31H,3,12-17,19H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-7,10-13,18-20H,3,8-9,14-17H2,1-2H3,(H,30,31,32)
• InChIKey: JUSAVAJSPLEQEY-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 437.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 36
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3069.96
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

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-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 159029565) is 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2-c2cccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2-c2nccs2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCN(C)C2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCNC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is JUSAVAJSPLEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O.2C30H35N7O.C30H30N6OS.C29H29N7OS.C29H32N6O/c1-4-38-29-23(19-28(30(38)39)27-8-6-5-7-26(27)22-13-14-36(3)21-22)20-32-31(34-29)33-24-9-11-25(12-10-24)37-17-15-35(2)16-18-37;1-3-37-28-21(19-26(29(37)38)24-7-4-5-8-25(24)27-9-6-14-31-27)20-32-30(34-28)33-22-10-12-23(13-11-22)36-17-15-35(2)16-18-36;1-3-37-28-22(18-27(29(37)38)26-7-5-4-6-25(26)21-12-13-31-19-21)20-32-30(34-28)33-23-8-10-24(11-9-23)36-16-14-35(2)15-17-36;1-3-36-28-21(19-26(29(36)37)24-7-4-5-8-25(24)27-9-6-18-38-27)20-31-30(33-28)32-22-10-12-23(13-11-22)35-16-14-34(2)15-17-35;1-3-36-26-20(18-25(28(36)37)23-6-4-5-7-24(23)27-30-12-17-38-27)19-31-29(33-26)32-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35;1-3-35-27-21(18-26(28(35)36)25-7-5-4-6-24(25)20-8-9-20)19-30-29(32-27)31-22-10-12-23(13-11-22)34-16-14-33(2)15-17-34/h5-12,19-20,22H,4,13-18,21H2,1-3H3,(H,32,33,34);4-5,7-8,10-13,19-20,27,31H,3,6,9,14-18H2,1-2H3,(H,32,33,34);4-11,18,20-21,31H,3,12-17,19H2,1-2H3,(H,32,33,34);4-13,18-20H,3,14-17H2,1-2H3,(H,31,32,33);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-7,10-13,18-20H,3,8-9,14-17H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3069.96 g/mol, XLogP of 28.49, 36 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-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-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-pyrrolidin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(2-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159029565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).