6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one

C132H136ClN25O8S — CID 159259388

About 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159259388) has the molecular formula C132H136ClN25O8S and a molecular weight of 2268.23 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159259388
• Molecular Formula: C132H136ClN25O8S
• Molecular Weight: 2268.23 g/mol
• Exact Mass: 2266.04
• IUPAC Name: 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O)C1CCOCC1.C=C1c2ccccc2CC(C)(C)C1n1c(=O)ccc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CSc4ccccc4C3=O)c2=O)c(Cl)c1
• InChI: InChI=1S/C35H39N7O3.C34H31ClN6O2S.C32H32N6O2.C31H34N6O/c1-22-18-27(8-9-29(22)41-14-12-36-13-15-41)38-35-37-21-26-19-28(23(2)24-10-16-45-17-11-24)33(43)42(32(26)39-35)31-20-25-6-4-5-7-30(25)40(3)34(31)44;1-20-8-13-25(28(35)15-20)27-16-21-17-37-34(39-23-11-9-22(10-12-23)38-24-5-4-14-36-18-24)40-32(21)41(33(27)43)29-19-44-30-7-3-2-6-26(30)31(29)42;1-5-20-16-22-18-33-31(35-24-12-10-23(11-13-24)34-25-14-15-37(4)19-25)36-29(22)38(30(20)40)27-17-21-8-6-7-9-26(21)28(39)32(27,2)3;1-20-26-7-5-4-6-21(26)18-31(2,3)28(20)37-27(38)13-8-22-19-33-30(36-29(22)37)35-24-11-9-23(10-12-24)34-25-14-16-32-17-15-25/h4-9,18-19,21,24,31,36H,2,10-17,20H2,1,3H3,(H,37,38,39);2-3,6-13,15-17,24,29,36,38H,4-5,14,18-19H2,1H3,(H,37,39,40);1,6-13,16,18,25,27,34H,14-15,17,19H2,2-4H3,(H,33,35,36);4-13,19,25,28,32,34H,1,14-18H2,2-3H3,(H,33,35,36)
• InChIKey: KWHVEBHPOUHNSR-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 381.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.23
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one (CID 159259388) is 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one is C#Cc1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O)C1CCOCC1.C=C1c2ccccc2CC(C)(C)C1n1c(=O)ccc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CSc4ccccc4C3=O)c2=O)c(Cl)c1.

What is the InChIKey of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KWHVEBHPOUHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O3.C34H31ClN6O2S.C32H32N6O2.C31H34N6O/c1-22-18-27(8-9-29(22)41-14-12-36-13-15-41)38-35-37-21-26-19-28(23(2)24-10-16-45-17-11-24)33(43)42(32(26)39-35)31-20-25-6-4-5-7-30(25)40(3)34(31)44;1-20-8-13-25(28(35)15-20)27-16-21-17-37-34(39-23-11-9-22(10-12-23)38-24-5-4-14-36-18-24)40-32(21)41(33(27)43)29-19-44-30-7-3-2-6-26(30)31(29)42;1-5-20-16-22-18-33-31(35-24-12-10-23(11-13-24)34-25-14-15-37(4)19-25)36-29(22)38(30(20)40)27-17-21-8-6-7-9-26(21)28(39)32(27,2)3;1-20-26-7-5-4-6-21(26)18-31(2,3)28(20)37-27(38)13-8-22-19-33-30(36-29(22)37)35-24-11-9-23(10-12-24)34-25-14-16-32-17-15-25/h4-9,18-19,21,24,31,36H,2,10-17,20H2,1,3H3,(H,37,38,39);2-3,6-13,15-17,24,29,36,38H,4-5,14,18-19H2,1H3,(H,37,39,40);1,6-13,16,18,25,27,34H,14-15,17,19H2,2-4H3,(H,33,35,36);4-13,19,25,28,32,34H,1,14-18H2,2-3H3,(H,33,35,36).

What are the key properties of 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2268.23 g/mol, XLogP of 21.49, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-methylphenyl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-1-methylidene-2,4-dihydronaphthalen-2-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;8-(3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-6-ethynyl-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(3-methyl-4-piperazin-1-ylanilino)-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159259388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).