6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C116H114ClF3N28O5S2 — CID 159266962

About 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159266962) has the molecular formula C116H114ClF3N28O5S2 and a molecular weight of 2136.96 g/mol. Its IUPAC name is 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159266962
• Molecular Formula: C116H114ClF3N28O5S2
• Molecular Weight: 2136.96 g/mol
• Exact Mass: 2134.86
• IUPAC Name: 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ncccc2C2CC2)c1=O.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5scnc5C5CC5)c4n3)cc2)CC1.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ncccc2C2CC2)c1=O.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1Cc1ncccc1C1CC1
• InChI: InChI=1S/C32H29ClFN7O.C31H30FN7OS.C28H28FN7O2.C25H27N7OS/c33-26-6-2-1-4-24(26)25-16-21-18-37-32(38-22-9-10-29(27(34)17-22)40-14-12-35-13-15-40)39-30(21)41(31(25)42)19-28-23(20-7-8-20)5-3-11-36-28;1-19-8-14-41-28(19)24-15-21-17-35-31(36-22-6-7-27(25(32)16-22)38-12-10-33-11-13-38)37-29(21)39(30(24)40)18-26-23(20-4-5-20)3-2-9-34-26;1-17(37)22-13-19-15-32-28(33-20-6-7-25(23(29)14-20)35-11-9-30-10-12-35)34-26(19)36(27(22)38)16-24-21(18-4-5-18)3-2-8-31-24;1-30-10-12-31(13-11-30)20-7-5-19(6-8-20)28-25-26-14-18-4-9-22(33)32(24(18)29-25)15-21-23(17-2-3-17)27-16-34-21/h1-6,9-11,16-18,20,35H,7-8,12-15,19H2,(H,37,38,39);2-3,6-9,14-17,20,33H,4-5,10-13,18H2,1H3,(H,35,36,37);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);4-9,14,16-17H,2-3,10-13,15H2,1H3,(H,26,28,29)
• InChIKey: KXFPEXJGFRZCBJ-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 360.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.96
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	7
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-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159266962) is 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ncccc2C2CC2)c1=O.CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5scnc5C5CC5)c4n3)cc2)CC1.Cc1ccsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ncccc2C2CC2)c1=O.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1Cc1ncccc1C1CC1.

What is the InChIKey of 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KXFPEXJGFRZCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClFN7O.C31H30FN7OS.C28H28FN7O2.C25H27N7OS/c33-26-6-2-1-4-24(26)25-16-21-18-37-32(38-22-9-10-29(27(34)17-22)40-14-12-35-13-15-40)39-30(21)41(31(25)42)19-28-23(20-7-8-20)5-3-11-36-28;1-19-8-14-41-28(19)24-15-21-17-35-31(36-22-6-7-27(25(32)16-22)38-12-10-33-11-13-38)37-29(21)39(30(24)40)18-26-23(20-4-5-20)3-2-9-34-26;1-17(37)22-13-19-15-32-28(33-20-6-7-25(23(29)14-20)35-11-9-30-10-12-35)34-26(19)36(27(22)38)16-24-21(18-4-5-18)3-2-8-31-24;1-30-10-12-31(13-11-30)20-7-5-19(6-8-20)28-25-26-14-18-4-9-22(33)32(24(18)29-25)15-21-23(17-2-3-17)27-16-34-21/h1-6,9-11,16-18,20,35H,7-8,12-15,19H2,(H,37,38,39);2-3,6-9,14-17,20,33H,4-5,10-13,18H2,1H3,(H,35,36,37);2-3,6-8,13-15,18,30H,4-5,9-12,16H2,1H3,(H,32,33,34);4-9,14,16-17H,2-3,10-13,15H2,1H3,(H,26,28,29).

What are the key properties of 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2136.96 g/mol, XLogP of 18.44, 27 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopropyl-2-pyridinyl)methyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159266962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).