2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine

C152H164F3N39O9 — CID 162245909

About 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine

2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine (PubChem CID 162245909) has the molecular formula C152H164F3N39O9 and a molecular weight of 2738.24 g/mol. Its IUPAC name is 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine.

Molecular Properties

• Compound Name: 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine
• PubChem CID: 162245909
• Molecular Formula: C152H164F3N39O9
• Molecular Weight: 2738.24 g/mol
• Exact Mass: 2736.35
• IUPAC Name: 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine
• SMILES: C1CNCCN1.CN(C)CCn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccccc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)ncn1C1CCCC1.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1.c1cocn1
• InChI: InChI=1S/C32H34N8O.C32H33N7O2.C30H31F3N6O2.C30H30N8O2.C21H23N7O.C4H10N2.C3H3NO/c1-21-29(35-20-39(21)26-7-5-6-8-26)28-17-22-18-34-32(38-30(22)40(31(28)41)27-9-3-2-4-10-27)37-24-13-11-23(12-14-24)36-25-15-16-33-19-25;1-20-15-23(21-5-2-3-6-21)17-35-29(20)26-16-24-18-36-32(38-30(24)39(31(26)40)28-7-4-12-34-28)37-25-10-8-22(9-11-25)27-19-33-13-14-41-27;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-26(2)11-12-28-18-15(13-17(20(28)29)19-22-9-10-27(19)3)14-23-21(25-18)24-16-7-5-4-6-8-16;1-2-6-4-3-5-1;1-2-5-3-4-1/h2-4,9-14,17-18,20,25-26,33,36H,5-8,15-16,19H2,1H3,(H,34,37,38);4,8-12,15-18,21,27,33H,2-3,5-7,13-14,19H2,1H3,(H,36,37,38);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-10,13-14H,11-12H2,1-3H3,(H,23,24,25);5-6H,1-4H2;1-3H
• InChIKey: ZXIFDGQHRQEJEB-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 551.28 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2738.24
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine?

The IUPAC name of 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine (CID 162245909) is 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine.

What is the SMILES notation for 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine?

The canonical SMILES for 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine is C1CNCCN1.CN(C)CCn1c(=O)c(-c2nccn2C)cc2cnc(Nc3ccccc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(-c3ccccc3)c2=O)ncn1C1CCCC1.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1cc(C2CCCN2)ccc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(CC(F)(F)F)c1=O.O=c1c(-c2cnc(C3=CCC=N3)nc2)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1C1CCOC1.c1cocn1.

What is the InChIKey of 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine?

The InChIKey is ZXIFDGQHRQEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O.C32H33N7O2.C30H31F3N6O2.C30H30N8O2.C21H23N7O.C4H10N2.C3H3NO/c1-21-29(35-20-39(21)26-7-5-6-8-26)28-17-22-18-34-32(38-30(22)40(31(28)41)27-9-3-2-4-10-27)37-24-13-11-23(12-14-24)36-25-15-16-33-19-25;1-20-15-23(21-5-2-3-6-21)17-35-29(20)26-16-24-18-36-32(38-30(24)39(31(26)40)28-7-4-12-34-28)37-25-10-8-22(9-11-25)27-19-33-13-14-41-27;1-18-13-19(26-3-2-11-35-26)4-9-24(18)25-14-20-15-36-29(38-27(20)39(28(25)40)17-30(31,32)33)37-21-5-7-22(8-6-21)41-23-10-12-34-16-23;39-29-25(22-16-33-27(34-17-22)26-4-2-11-32-26)13-21-15-35-30(37-28(21)38(29)24-9-12-40-18-24)36-23-7-5-19(6-8-23)20-3-1-10-31-14-20;1-26(2)11-12-28-18-15(13-17(20(28)29)19-22-9-10-27(19)3)14-23-21(25-18)24-16-7-5-4-6-8-16;1-2-6-4-3-5-1;1-2-5-3-4-1/h2-4,9-14,17-18,20,25-26,33,36H,5-8,15-16,19H2,1H3,(H,34,37,38);4,8-12,15-18,21,27,33H,2-3,5-7,13-14,19H2,1H3,(H,36,37,38);4-9,13-15,23,26,34-35H,2-3,10-12,16-17H2,1H3,(H,36,37,38);4-8,11,13,15-17,20,24,31H,1-3,9-10,12,14,18H2,(H,35,36,37);4-10,13-14H,11-12H2,1-3H3,(H,23,24,25);5-6H,1-4H2;1-3H.

What are the key properties of 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine?

2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine has a molecular weight of 2738.24 g/mol, XLogP of 22.80, 31 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-8-[2-(dimethylamino)ethyl]-6-(1-methylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-cyclopentyl-5-methylimidazol-4-yl)-8-phenyl-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-(4-morpholin-2-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-pyrrolidin-2-ylphenyl)-2-(4-pyrrolidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;1,3-oxazole;8-(oxolan-3-yl)-2-(4-piperidin-3-ylanilino)-6-[2-(3H-pyrrol-5-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;piperazine is sourced from PubChem (CID 162245909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).