8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C125H129FN30O6S3 — CID 158938046

About 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158938046) has the molecular formula C125H129FN30O6S3 and a molecular weight of 2262.81 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158938046
• Molecular Formula: C125H129FN30O6S3
• Molecular Weight: 2262.81 g/mol
• Exact Mass: 2260.99
• IUPAC Name: 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccsc6)cc5F)c(=O)n(C5CCOC5)c4n3)cc2)CC1.Cc1cnc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1nc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2CCCC2)c1=O.Cc1nc(-c2ncnn2C)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C(C)C)c1=O
• InChI: InChI=1S/C32H31FN6O2S.C32H34N8OS.C32H33N7OS.C29H31N9O2/c1-37-10-12-38(13-11-37)25-5-3-24(4-6-25)35-32-34-18-23-16-28(31(40)39(30(23)36-32)26-8-14-41-19-26)27-7-2-21(17-29(27)33)22-9-15-42-20-22;1-20-27(19-34-28(36-20)30-33-13-16-42-30)26-17-23-18-35-32(38-29(23)40(31(26)41)25-5-3-4-6-25)37-24-9-7-21(8-10-24)22-11-14-39(2)15-12-22;1-20-15-33-29(24-11-13-41-19-24)36-28(20)27-14-25-16-34-32(37-30(25)39(31(27)40)17-21-5-6-21)35-26-9-7-22(8-10-26)23-4-3-12-38(2)18-23;1-17(2)38-26-20(13-23(28(38)39)22-9-10-24(34-18(22)3)27-32-16-33-37(27)4)14-31-29(36-26)35-21-7-5-19(6-8-21)25-15-30-11-12-40-25/h2-7,9,15-18,20,26H,8,10-14,19H2,1H3,(H,34,35,36);7-10,13,16-19,22,25H,3-6,11-12,14-15H2,1-2H3,(H,35,37,38);7-11,13-16,19,21,23H,3-6,12,17-18H2,1-2H3,(H,34,35,37);5-10,13-14,16-17,25,30H,11-12,15H2,1-4H3,(H,31,35,36)
• InChIKey: JJWZBALSNOCDGR-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 390.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.81
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 158938046) is 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccsc6)cc5F)c(=O)n(C5CCOC5)c4n3)cc2)CC1.Cc1cnc(-c2ccsc2)nc1-c1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1nc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2CCCC2)c1=O.Cc1nc(-c2ncnn2C)ccc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C(C)C)c1=O.

What is the InChIKey of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is JJWZBALSNOCDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O2S.C32H34N8OS.C32H33N7OS.C29H31N9O2/c1-37-10-12-38(13-11-37)25-5-3-24(4-6-25)35-32-34-18-23-16-28(31(40)39(30(23)36-32)26-8-14-41-19-26)27-7-2-21(17-29(27)33)22-9-15-42-20-22;1-20-27(19-34-28(36-20)30-33-13-16-42-30)26-17-23-18-35-32(38-29(23)40(31(26)41)25-5-3-4-6-25)37-24-9-7-21(8-10-24)22-11-14-39(2)15-12-22;1-20-15-33-29(24-11-13-41-19-24)36-28(20)27-14-25-16-34-32(37-30(25)39(31(27)40)17-21-5-6-21)35-26-9-7-22(8-10-26)23-4-3-12-38(2)18-23;1-17(2)38-26-20(13-23(28(38)39)22-9-10-24(34-18(22)3)27-32-16-33-37(27)4)14-31-29(36-26)35-21-7-5-19(6-8-21)25-15-30-11-12-40-25/h2-7,9,15-18,20,26H,8,10-14,19H2,1H3,(H,34,35,36);7-10,13,16-19,22,25H,3-6,11-12,14-15H2,1-2H3,(H,35,37,38);7-11,13-16,19,21,23H,3-6,12,17-18H2,1-2H3,(H,34,35,37);5-10,13-14,16-17,25,30H,11-12,15H2,1-4H3,(H,31,35,36).

What are the key properties of 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2262.81 g/mol, XLogP of 22.32, 25 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(5-methyl-2-thiophen-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-thiophen-3-ylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158938046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).