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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C121H121Cl4F6N35O5S — CID 157187241

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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157187241) has the molecular formula C121H121Cl4F6N35O5S and a molecular weight of 2433.41 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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157187241
• Molecular Formula: C121H121Cl4F6N35O5S
• Molecular Weight: 2433.41 g/mol
• Exact Mass: 2429.87
• 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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.C.CN(C)CCn1c(=O)c(-c2ncc(-c3nccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5nnn(C)n5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cccc1-c1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3CCOC3)c2=O)c(Cl)c1.Cn1cncc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1
• InChI: InChI=1S/C33H31ClF3N7O2.C30H26Cl2F3N7O.C30H32ClN9O.C26H24N12OS.2CH4/c1-42-11-2-3-28(42)20-4-6-24(27(34)16-20)25-15-21-18-39-32(41-30(21)44(31(25)45)23-8-14-46-19-23)40-22-5-7-29(26(17-22)33(35,36)37)43-12-9-38-10-13-43;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;1-35-10-7-17(15-35)16-3-5-19(6-4-16)30-24-29-14-18-13-20(22-27-8-11-37(22)25-32-34-36(2)33-25)23(39)38(21(18)31-24)26-28-9-12-40-26;;/h2-7,11,15-18,23,38H,8-10,12-14,19H2,1H3,(H,39,40,41);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);3-6,8-9,11-14,17H,7,10,15H2,1-2H3,(H,29,30,31);2*1H4
• InChIKey: APGNTEFIKVUCJN-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 422.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.41
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157187241) 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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is C.C.CN(C)CCn1c(=O)c(-c2ncc(-c3nccn3C)cc2Cl)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5nccn5-c5nnn(C)n5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cccc1-c1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3CCOC3)c2=O)c(Cl)c1.Cn1cncc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1.

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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is APGNTEFIKVUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClF3N7O2.C30H26Cl2F3N7O.C30H32ClN9O.C26H24N12OS.2CH4/c1-42-11-2-3-28(42)20-4-6-24(27(34)16-20)25-15-21-18-39-32(41-30(21)44(31(25)45)23-8-14-46-19-23)40-22-5-7-29(26(17-22)33(35,36)37)43-12-9-38-10-13-43;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;1-35-10-7-17(15-35)16-3-5-19(6-4-16)30-24-29-14-18-13-20(22-27-8-11-37(22)25-32-34-36(2)33-25)23(39)38(21(18)31-24)26-28-9-12-40-26;;/h2-7,11,15-18,23,38H,8-10,12-14,19H2,1H3,(H,39,40,41);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);3-6,8-9,11-14,17H,7,10,15H2,1-2H3,(H,29,30,31);2*1H4.

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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2433.41 g/mol, XLogP of 21.53, 26 rotatable bonds, 7 hydrogen bond donors, and 41 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-[2-chloro-4-(1-methylpyrrol-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]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;methane;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[1-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157187241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).