6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one

C124H127F4N37O4S — CID 161198501

About 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one

6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 161198501) has the molecular formula C124H127F4N37O4S and a molecular weight of 2307.69 g/mol. Its IUPAC name is 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161198501
• Molecular Formula: C124H127F4N37O4S
• Molecular Weight: 2307.69 g/mol
• Exact Mass: 2306.05
• IUPAC Name: 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(C)CCn1c(=O)c(-c2nccn2-c2cnnn2C)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(C5=CCC=C5)cn4)c(=O)n(-c4nccs4)c3n2)cc1)C1CCNCC1.CN1CCC(Cc2ccc(Nc3ncc4cc(-c5ccc(C6=NNCN6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(-c5ccccc5-c5nnn(C)n5)c(=O)n(-c5ccccc5)c4n3)cc2)C1
• InChI: InChI=1S/C34H33N9O.C32H30N8OS.C31H33F3N8O.C27H31FN12O/c1-41-18-8-9-24(22-41)19-23-14-16-26(17-15-23)36-34-35-21-25-20-30(28-12-6-7-13-29(28)31-38-40-42(2)39-31)33(44)43(32(25)37-34)27-10-4-3-5-11-27;1-39(26-12-14-33-15-13-26)25-9-7-24(8-10-25)37-31-36-20-23-18-27(28-11-6-22(19-35-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-34-16-17-42-32;1-40-13-11-21(12-14-40)15-20-3-9-25(10-4-20)37-30-35-17-24-16-26(29(43)42(27(24)38-30)18-31(32,33)34)22-5-7-23(8-6-22)28-39-36-19-41(28)2;1-36(2)12-13-40-24-18(14-20(26(40)41)25-30-8-11-39(25)23-17-32-35-37(23)3)16-31-27(34-24)33-19-4-5-22(21(28)15-19)38-9-6-29-7-10-38/h3-7,10-17,20-21,24H,8-9,18-19,22H2,1-2H3,(H,35,36,37);2,4-11,16-20,26,33H,3,12-15H2,1H3,(H,36,37,38);3-10,16-17,21,36H,11-15,18-19H2,1-2H3,(H,35,37,38);4-5,8,11,14-17,29H,6-7,9-10,12-13H2,1-3H3,(H,31,33,34)
• InChIKey: UURBAJURCLDNNO-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 425.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.69
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

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-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one (CID 161198501) is 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2nccn2-c2cnnn2C)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN(c1ccc(Nc2ncc3cc(-c4ccc(C5=CCC=C5)cn4)c(=O)n(-c4nccs4)c3n2)cc1)C1CCNCC1.CN1CCC(Cc2ccc(Nc3ncc4cc(-c5ccc(C6=NNCN6C)cc5)c(=O)n(CC(F)(F)F)c4n3)cc2)CC1.CN1CCCC(Cc2ccc(Nc3ncc4cc(-c5ccccc5-c5nnn(C)n5)c(=O)n(-c5ccccc5)c4n3)cc2)C1.

What is the InChIKey of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UURBAJURCLDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N9O.C32H30N8OS.C31H33F3N8O.C27H31FN12O/c1-41-18-8-9-24(22-41)19-23-14-16-26(17-15-23)36-34-35-21-25-20-30(28-12-6-7-13-29(28)31-38-40-42(2)39-31)33(44)43(32(25)37-34)27-10-4-3-5-11-27;1-39(26-12-14-33-15-13-26)25-9-7-24(8-10-25)37-31-36-20-23-18-27(28-11-6-22(19-35-28)21-4-2-3-5-21)30(41)40(29(23)38-31)32-34-16-17-42-32;1-40-13-11-21(12-14-40)15-20-3-9-25(10-4-20)37-30-35-17-24-16-26(29(43)42(27(24)38-30)18-31(32,33)34)22-5-7-23(8-6-22)28-39-36-19-41(28)2;1-36(2)12-13-40-24-18(14-20(26(40)41)25-30-8-11-39(25)23-17-32-35-37(23)3)16-31-27(34-24)33-19-4-5-22(21(28)15-19)38-9-6-29-7-10-38/h3-7,10-17,20-21,24H,8-9,18-19,22H2,1-2H3,(H,35,36,37);2,4-11,16-20,26,33H,3,12-15H2,1H3,(H,36,37,38);3-10,16-17,21,36H,11-15,18-19H2,1-2H3,(H,35,37,38);4-5,8,11,14-17,29H,6-7,9-10,12-13H2,1-3H3,(H,31,33,34).

What are the key properties of 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one?

6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2307.69 g/mol, XLogP of 17.27, 29 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-cyclopenta-1,4-dien-1-yl-2-pyridinyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-6-[1-(3-methyltriazol-4-yl)imidazol-2-yl]pyrido[2,3-d]pyrimidin-7-one;6-[4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)phenyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)methyl]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161198501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).