6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
C156H145F6N39O5S4 — CID 157062439
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1ncnn1C.Cc1cc(-c2ccsc2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1cc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2=CCC=C2)ccc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nc(-c2cncs2)ccc1-c1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O
InChIInChI=1S/C35H31N5O.C32H29N7OS.C31H28N8OS2.C29H33F3N12O.C29H24F3N7OS/c1-23-19-26(24-7-5-6-8-24)13-16-31(23)32-20-28-22-37-35(38-29-14-11-25(12-15-29)27-17-18-36-21-27)39-33(28)40(34(32)41)30-9-3-2-4-10-30;1-20-15-28(23-10-14-41-19-23)35-18-27(20)26-16-24-17-36-32(38-30(24)39(31(26)40)29-3-2-11-34-29)37-25-6-4-21(5-7-25)22-8-12-33-13-9-22;1-19-24(7-8-26(35-19)27-15-32-18-42-27)25-13-22-14-34-31(37-29(22)39(30(25)40)17-28-33-10-12-41-28)36-23-5-3-20(4-6-23)21-9-11-38(2)16-21;1-18-24(36-17-44(18)28-35-16-37-41(28)4)21-13-19-15-34-27(39-25(19)43(26(21)45)12-11-40(2)3)38-20-5-6-23(22(14-20)29(30,31)32)42-9-7-33-8-10-42;1-17-12-24(26-34-10-11-41-26)35-15-23(17)22-13-20-14-36-28(38-25(20)39(27(22)40)16-29(30,31)32)37-21-4-2-18(3-5-21)19-6-8-33-9-7-19/h2-5,7-16,19-20,22,27,36H,6,17-18,21H2,1H3,(H,37,38,39);2,4-7,10-11,14-19,22,33H,3,8-9,12-13H2,1H3,(H,36,37,38);3-8,10,12-15,18,21H,9,11,16-17H2,1-2H3,(H,34,36,37);5-6,13-17,33H,7-12H2,1-4H3,(H,34,38,39);2-6,10-15,33H,7-9,16H2,1H3,(H,36,37,38)
InChIKeyABMFNYQYXYJIOH-UHFFFAOYSA-N
MW2888.40 g/mol
LogP27.92
Rot. Bonds32
About 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157062439) has the molecular formula C156H145F6N39O5S4 and a molecular weight of 2888.40 g/mol. Its IUPAC name is 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one |
|---|---|
| PubChem CID | 157062439 |
| Molecular Formula | C156H145F6N39O5S4 |
| Molecular Weight | 2888.40 g/mol |
| Exact Mass | 2886.11 |
| IUPAC Name | 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one |
| SMILES | Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1ncnn1C.Cc1cc(-c2ccsc2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1cc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2=CCC=C2)ccc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nc(-c2cncs2)ccc1-c1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O |
| InChI | InChI=1S/C35H31N5O.C32H29N7OS.C31H28N8OS2.C29H33F3N12O.C29H24F3N7OS/c1-23-19-26(24-7-5-6-8-24)13-16-31(23)32-20-28-22-37-35(38-29-14-11-25(12-15-29)27-17-18-36-21-27)39-33(28)40(34(32)41)30-9-3-2-4-10-30;1-20-15-28(23-10-14-41-19-23)35-18-27(20)26-16-24-17-36-32(38-30(24)39(31(26)40)29-3-2-11-34-29)37-25-6-4-21(5-7-25)22-8-12-33-13-9-22;1-19-24(7-8-26(35-19)27-15-32-18-42-27)25-13-22-14-34-31(37-29(22)39(30(25)40)17-28-33-10-12-41-28)36-23-5-3-20(4-6-23)21-9-11-38(2)16-21;1-18-24(36-17-44(18)28-35-16-37-41(28)4)21-13-19-15-34-27(39-25(19)43(26(21)45)12-11-40(2)3)38-20-5-6-23(22(14-20)29(30,31)32)42-9-7-33-8-10-42;1-17-12-24(26-34-10-11-41-26)35-15-23(17)22-13-20-14-36-28(38-25(20)39(27(22)40)16-29(30,31)32)37-21-4-2-18(3-5-21)19-6-8-33-9-7-19/h2-5,7-16,19-20,22,27,36H,6,17-18,21H2,1H3,(H,37,38,39);2,4-7,10-11,14-19,22,33H,3,8-9,12-13H2,1H3,(H,36,37,38);3-8,10,12-15,18,21H,9,11,16-17H2,1-2H3,(H,34,36,37);5-6,13-17,33H,7-12H2,1-4H3,(H,34,38,39);2-6,10-15,33H,7-9,16H2,1H3,(H,36,37,38) |
| InChIKey | ABMFNYQYXYJIOH-UHFFFAOYSA-N |
| XLogP | 27.92 |
| TPSA | 495.12 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 210 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2888.40 |
| LogP ≤ 5 | 27.92 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 48 |
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-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157062439) is 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1c(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(CCN(C)C)c2=O)ncn1-c1ncnn1C.Cc1cc(-c2ccsc2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2=NC=CC2)c1=O.Cc1cc(-c2nccs2)ncc1-c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(CC(F)(F)F)c1=O.Cc1cc(C2=CCC=C2)ccc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(-c2ccccc2)c1=O.Cc1nc(-c2cncs2)ccc1-c1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.
What is the InChIKey of 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ABMFNYQYXYJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O.C32H29N7OS.C31H28N8OS2.C29H33F3N12O.C29H24F3N7OS/c1-23-19-26(24-7-5-6-8-24)13-16-31(23)32-20-28-22-37-35(38-29-14-11-25(12-15-29)27-17-18-36-21-27)39-33(28)40(34(32)41)30-9-3-2-4-10-30;1-20-15-28(23-10-14-41-19-23)35-18-27(20)26-16-24-17-36-32(38-30(24)39(31(26)40)29-3-2-11-34-29)37-25-6-4-21(5-7-25)22-8-12-33-13-9-22;1-19-24(7-8-26(35-19)27-15-32-18-42-27)25-13-22-14-34-31(37-29(22)39(30(25)40)17-28-33-10-12-41-28)36-23-5-3-20(4-6-23)21-9-11-38(2)16-21;1-18-24(36-17-44(18)28-35-16-37-41(28)4)21-13-19-15-34-27(39-25(19)43(26(21)45)12-11-40(2)3)38-20-5-6-23(22(14-20)29(30,31)32)42-9-7-33-8-10-42;1-17-12-24(26-34-10-11-41-26)35-15-23(17)22-13-20-14-36-28(38-25(20)39(27(22)40)16-29(30,31)32)37-21-4-2-18(3-5-21)19-6-8-33-9-7-19/h2-5,7-16,19-20,22,27,36H,6,17-18,21H2,1H3,(H,37,38,39);2,4-7,10-11,14-19,22,33H,3,8-9,12-13H2,1H3,(H,36,37,38);3-8,10,12-15,18,21H,9,11,16-17H2,1-2H3,(H,34,36,37);5-6,13-17,33H,7-12H2,1-4H3,(H,34,38,39);2-6,10-15,33H,7-9,16H2,1H3,(H,36,37,38).
What are the key properties of 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2888.40 g/mol, XLogP of 27.92, 32 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157062439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157062439 — identifiers, structure, computed properties (public domain)
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