6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one

C114H117N27O4S4 — CID 157110113

About 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157110113) has the molecular formula C114H117N27O4S4 and a molecular weight of 2057.64 g/mol. Its IUPAC name is 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157110113
• Molecular Formula: C114H117N27O4S4
• Molecular Weight: 2057.64 g/mol
• Exact Mass: 2055.87
• IUPAC Name: 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nccs3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
• InChI: InChI=1S/C31H31N7O.C29H29N7OS.C27H27N7OS2.C27H30N6OS/c1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-3-36-27-21(17-24(28(36)37)26-11-10-25(38-26)20-5-4-12-30-18-20)19-31-29(33-27)32-22-6-8-23(9-7-22)35-15-13-34(2)14-16-35;1-3-34-24-18(16-21(26(34)35)22-8-9-23(37-22)25-28-10-15-36-25)17-29-27(31-24)30-19-4-6-20(7-5-19)33-13-11-32(2)12-14-33;1-3-33-25-19(16-22(26(33)34)24-11-10-23(35-24)18-4-5-18)17-28-27(30-25)29-20-6-8-21(9-7-20)32-14-12-31(2)13-15-32/h4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-10,15-17H,3,11-14H2,1-2H3,(H,29,30,31);6-11,16-18H,3-5,12-15H2,1-2H3,(H,28,29,30)
• InChIKey: AGTCWDLNDXBQLP-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 303.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2057.64
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one (CID 157110113) is 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3nccs3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.

What is the InChIKey of 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AGTCWDLNDXBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N7O.C29H29N7OS.C27H27N7OS2.C27H30N6OS/c1-3-38-29-25(19-28(30(38)39)23-8-6-22(7-9-23)24-5-4-14-32-20-24)21-33-31(35-29)34-26-10-12-27(13-11-26)37-17-15-36(2)16-18-37;1-3-36-27-21(17-24(28(36)37)26-11-10-25(38-26)20-5-4-12-30-18-20)19-31-29(33-27)32-22-6-8-23(9-7-22)35-15-13-34(2)14-16-35;1-3-34-24-18(16-21(26(34)35)22-8-9-23(37-22)25-28-10-15-36-25)17-29-27(31-24)30-19-4-6-20(7-5-19)33-13-11-32(2)12-14-33;1-3-33-25-19(16-22(26(33)34)24-11-10-23(35-24)18-4-5-18)17-28-27(30-25)29-20-6-8-21(9-7-20)32-14-12-31(2)13-15-32/h4-14,19-21H,3,15-18H2,1-2H3,(H,33,34,35);4-12,17-19H,3,13-16H2,1-2H3,(H,31,32,33);4-10,15-17H,3,11-14H2,1-2H3,(H,29,30,31);6-11,16-18H,3-5,12-15H2,1-2H3,(H,28,29,30).

What are the key properties of 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one?

6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2057.64 g/mol, XLogP of 20.20, 24 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclopropylthiophen-2-yl)-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-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-pyridin-3-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[5-(1,3-thiazol-2-yl)thiophen-2-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).