6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

C129H127ClFN23O10S2 — CID 157119250

About 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157119250) has the molecular formula C129H127ClFN23O10S2 and a molecular weight of 2278.17 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157119250
• Molecular Formula: C129H127ClFN23O10S2
• Molecular Weight: 2278.17 g/mol
• Exact Mass: 2275.93
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2N1C1CSc2ccccc2C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(C3COc4ccccc4C3=O)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C35H40N6O3.C34H32N6O4.C33H28ClN5O3S.C27H27FN6S/c1-23(24-13-16-43-17-14-24)31-19-26-20-36-35(37-27-8-10-29(11-9-27)44-30-12-15-39(2)22-30)38-33(26)41(34(31)42)28-18-25-6-4-5-7-32(25)40(3)21-28;1-21-6-2-5-9-29(21)44-30-18-22-19-37-34(38-23-10-12-24(13-11-23)43-25-14-16-35-17-15-25)39-32(22)40(33(30)42)28-20-36-27-8-4-3-7-26(27)31(28)41;1-19-6-11-23(26(34)14-19)25-15-21-16-36-33(37-22-9-7-20(8-10-22)29-17-35-12-13-43-29)38-31(21)39(32(25)41)27-18-42-28-5-3-2-4-24(28)30(27)40;1-18-6-7-20-16-30-27(31-21-8-9-24(23(28)15-21)33-12-10-29-11-13-33)32-26(20)34(18)22-14-19-4-2-3-5-25(19)35-17-22/h4-11,19-20,24,28,30H,1,12-18,21-22H2,2-3H3,(H,36,37,38);2-13,18-19,25,28,35-36H,14-17,20H2,1H3,(H,37,38,39);2-11,14-16,27,29,35H,12-13,17-18H2,1H3,(H,36,37,38);2-9,15-16,22,29H,1,10-14,17H2,(H,30,31,32)
• InChIKey: AHTQTCHCGDOCIS-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 358.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.17
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	8
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-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one (CID 157119250) is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O)C1CCOCC1.C=C1C=Cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2N1C1CSc2ccccc2C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(C3COc4ccccc4C3=O)c2=O)c(Cl)c1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is AHTQTCHCGDOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N6O3.C34H32N6O4.C33H28ClN5O3S.C27H27FN6S/c1-23(24-13-16-43-17-14-24)31-19-26-20-36-35(37-27-8-10-29(11-9-27)44-30-12-15-39(2)22-30)38-33(26)41(34(31)42)28-18-25-6-4-5-7-32(25)40(3)21-28;1-21-6-2-5-9-29(21)44-30-18-22-19-37-34(38-23-10-12-24(13-11-23)43-25-14-16-35-17-15-25)39-32(22)40(33(30)42)28-20-36-27-8-4-3-7-26(27)31(28)41;1-19-6-11-23(26(34)14-19)25-15-21-16-36-33(37-22-9-7-20(8-10-22)29-17-35-12-13-43-29)38-31(21)39(32(25)41)27-18-42-28-5-3-2-4-24(28)30(27)40;1-18-6-7-20-16-30-27(31-21-8-9-24(23(28)15-21)33-12-10-29-11-13-33)32-26(20)34(18)22-14-19-4-2-3-5-25(19)35-17-22/h4-11,19-20,24,28,30H,1,12-18,21-22H2,2-3H3,(H,36,37,38);2-13,18-19,25,28,35-36H,14-17,20H2,1H3,(H,37,38,39);2-11,14-16,27,29,35H,12-13,17-18H2,1H3,(H,36,37,38);2-9,15-16,22,29H,1,10-14,17H2,(H,30,31,32).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2278.17 g/mol, XLogP of 22.10, 23 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrochromen-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-N-(3-fluoro-4-piperazin-1-ylphenyl)-7-methylidenepyrido[2,3-d]pyrimidin-2-amine;8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenoxy)-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157119250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).