6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

C126H137N25O8S — CID 157344459

About 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157344459) has the molecular formula C126H137N25O8S and a molecular weight of 2161.72 g/mol. Its IUPAC name is 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157344459
• Molecular Formula: C126H137N25O8S
• Molecular Weight: 2161.72 g/mol
• Exact Mass: 2160.08
• IUPAC Name: 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O
• InChI: InChI=1S/C33H34N6O2.C32H35N7O2.C32H37N7O2.C29H31N5O2S/c1-20(21-9-10-21)27-16-24-18-35-33(36-25-13-11-22(12-14-25)23-6-5-15-34-17-23)37-31(24)39(32(27)41)29-19-38(2)28-8-4-3-7-26(28)30(29)40;1-20(2)21(3)27-17-23-19-34-32(35-24-9-11-25(12-10-24)38-15-13-33-14-16-38)36-29(23)39(31(27)41)28-18-22-7-5-6-8-26(22)30(40)37(28)4;1-4-20(5-2)26-16-22-18-34-32(36-24-12-10-23(11-13-24)35-25-14-15-33-19-25)37-29(22)39(30(26)40)28-17-21-8-6-7-9-27(21)38(3)31(28)41;1-3-36-25-15-22-16-30-29(31-23-10-8-19(9-11-23)21-12-13-33(2)17-21)32-27(22)34(28(25)35)24-14-20-6-4-5-7-26(20)37-18-24/h3-4,7-8,11-14,16,18,21,23,29,34H,1,5-6,9-10,15,17,19H2,2H3,(H,35,36,37);5-12,17,19-20,28,33H,3,13-16,18H2,1-2,4H3,(H,34,35,36);6-13,16,18,20,25,28,33,35H,4-5,14-15,17,19H2,1-3H3,(H,34,36,37);4-11,15-16,21,24H,3,12-14,17-18H2,1-2H3,(H,30,31,32)
• InChIKey: BGUFLDYOJWJKMS-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 364.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.72
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 157344459) is 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O)C(C)C.CCC(CC)c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(C2CSc3ccccc3C2)c1=O.

What is the InChIKey of 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BGUFLDYOJWJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O2.C32H35N7O2.C32H37N7O2.C29H31N5O2S/c1-20(21-9-10-21)27-16-24-18-35-33(36-25-13-11-22(12-14-25)23-6-5-15-34-17-23)37-31(24)39(32(27)41)29-19-38(2)28-8-4-3-7-26(28)30(29)40;1-20(2)21(3)27-17-23-19-34-32(35-24-9-11-25(12-10-24)38-15-13-33-14-16-38)36-29(23)39(31(27)41)28-18-22-7-5-6-8-26(22)30(40)37(28)4;1-4-20(5-2)26-16-22-18-34-32(36-24-12-10-23(11-13-24)35-25-14-15-33-19-25)37-29(22)39(30(26)40)28-17-21-8-6-7-9-27(21)38(3)31(28)41;1-3-36-25-15-22-16-30-29(31-23-10-8-19(9-11-23)21-12-13-33(2)17-21)32-27(22)34(28(25)35)24-14-20-6-4-5-7-26(20)37-18-24/h3-4,7-8,11-14,16,18,21,23,29,34H,1,5-6,9-10,15,17,19H2,2H3,(H,35,36,37);5-12,17,19-20,28,33H,3,13-16,18H2,1-2,4H3,(H,34,35,36);6-13,16,18,20,25,28,33,35H,4-5,14-15,17,19H2,1-3H3,(H,34,36,37);4-11,15-16,21,24H,3,12-14,17-18H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2161.72 g/mol, XLogP of 19.95, 26 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylethenyl)-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-ethoxy-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-en-2-yl)-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157344459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).