6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C152H150Cl3F3N44O6 — CID 158448613

About 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158448613) has the molecular formula C152H150Cl3F3N44O6 and a molecular weight of 2852.53 g/mol. Its IUPAC name is 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158448613
• Molecular Formula: C152H150Cl3F3N44O6
• Molecular Weight: 2852.53 g/mol
• Exact Mass: 2849.18
• IUPAC Name: 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CN(C)CCn1c(=O)c(-c2ncc(-c3nccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5nnn(C)n5)c(=O)n(C5=NC=CC5)c4n3)cc2)C1.Cn1cncc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1.Cn1nnnc1-c1ccccc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CC2=NC=CC2)c1=O.O=c1c(-c2ccc(C3=CCC=C3)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1CC1CCOCC1
• InChI: InChI=1S/C34H36N6O2.C31H30N10O.C30H26Cl2F3N7O.C30H32ClN9O.C27H26N12O/c41-33-31(27-7-5-26(6-8-27)25-3-1-2-4-25)21-28-22-36-34(38-32(28)40(33)23-24-13-19-42-20-14-24)37-29-9-11-30(12-10-29)39-17-15-35-16-18-39;1-40-29(37-38-39-40)26-9-3-2-8-25(26)27-16-22-18-34-31(36-28(22)41(30(27)42)19-24-7-5-15-33-24)35-23-12-10-20(11-13-23)21-6-4-14-32-17-21;1-41-16-37-14-25(41)19-11-23(31)26(24(32)12-19)22-10-20-13-38-29(40-27(20)42(28(22)43)15-30(33,34)35)39-21-4-2-17(3-5-21)18-6-8-36-9-7-18;1-38(2)12-13-40-28-21(18-35-30(37-28)36-23-6-4-19(5-7-23)20-8-9-32-16-20)14-24(29(40)41)26-25(31)15-22(17-34-26)27-33-10-11-39(27)3;1-36-12-9-18(16-36)17-5-7-20(8-6-17)31-26-30-15-19-14-21(24-29-11-13-38(24)27-33-35-37(2)34-27)25(40)39(23(19)32-26)22-4-3-10-28-22/h1,3-12,21-22,24,35H,2,13-20,23H2,(H,36,37,38);2-3,5,8-13,15-16,18,21,32H,4,6-7,14,17,19H2,1H3,(H,34,35,36);2-5,10-14,16,18,36H,6-9,15H2,1H3,(H,38,39,40);4-7,10-11,14-15,17-18,20,32H,8-9,12-13,16H2,1-3H3,(H,35,36,37);3,5-8,10-11,13-15,18H,4,9,12,16H2,1-2H3,(H,30,31,32)
• InChIKey: HDRSXGPTQGYOMC-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 544.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 50
• Rotatable Bonds: 33
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2852.53
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	50

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-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158448613) is 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CN(C)CCn1c(=O)c(-c2ncc(-c3nccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5nnn(C)n5)c(=O)n(C5=NC=CC5)c4n3)cc2)C1.Cn1cncc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1.Cn1nnnc1-c1ccccc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CC2=NC=CC2)c1=O.O=c1c(-c2ccc(C3=CCC=C3)cc2)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1CC1CCOCC1.

What is the InChIKey of 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HDRSXGPTQGYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O2.C31H30N10O.C30H26Cl2F3N7O.C30H32ClN9O.C27H26N12O/c41-33-31(27-7-5-26(6-8-27)25-3-1-2-4-25)21-28-22-36-34(38-32(28)40(33)23-24-13-19-42-20-14-24)37-29-9-11-30(12-10-29)39-17-15-35-16-18-39;1-40-29(37-38-39-40)26-9-3-2-8-25(26)27-16-22-18-34-31(36-28(22)41(30(27)42)19-24-7-5-15-33-24)35-23-12-10-20(11-13-23)21-6-4-14-32-17-21;1-41-16-37-14-25(41)19-11-23(31)26(24(32)12-19)22-10-20-13-38-29(40-27(20)42(28(22)43)15-30(33,34)35)39-21-4-2-17(3-5-21)18-6-8-36-9-7-18;1-38(2)12-13-40-28-21(18-35-30(37-28)36-23-6-4-19(5-7-23)20-8-9-32-16-20)14-24(29(40)41)26-25(31)15-22(17-34-26)27-33-10-11-39(27)3;1-36-12-9-18(16-36)17-5-7-20(8-6-17)31-26-30-15-19-14-21(24-29-11-13-38(24)27-33-35-37(2)34-27)25(40)39(23(19)32-26)22-4-3-10-28-22/h1,3-12,21-22,24,35H,2,13-20,23H2,(H,36,37,38);2-3,5,8-13,15-16,18,21,32H,4,6-7,14,17,19H2,1H3,(H,34,35,36);2-5,10-14,16,18,36H,6-9,15H2,1H3,(H,38,39,40);4-7,10-11,14-15,17-18,20,32H,8-9,12-13,16H2,1-3H3,(H,35,36,37);3,5-8,10-11,13-15,18H,4,9,12,16H2,1-2H3,(H,30,31,32).

What are the key properties of 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2852.53 g/mol, XLogP of 23.32, 33 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-chloro-5-(1-methylimidazol-2-yl)-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopenta-1,4-dien-1-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(3-methylimidazol-4-yl)phenyl]-2-(4-piperidin-4-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyltetrazol-5-yl)phenyl]-2-(4-piperidin-3-ylanilino)-8-(3H-pyrrol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158448613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).