4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
C134H126F3N29O18S6 — CID 157413466
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ccn1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F
InChIInChI=1S/C23H20F3N5O3S.C23H22N4O3S.4C22H21N5O3S/c1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-13-4-3-5-15(8-13)10-17(28)19-11-24-23(31-19)14(2)9-18(29)21-16-6-7-20(30)27-22(16)26-12-25-21;1-12-5-14(9-23-8-12)7-16(28)18-10-24-22(31-18)13(2)6-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(7-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20)22-24-10-18(31-22)16(28)9-14-5-6-23-13(2)8-14;1-12-5-6-23-14(7-12)9-16(28)18-10-24-22(31-18)13(2)8-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(8-17(29)20-15-6-7-19(30)27-21(15)25-11-24-20)22-23-10-18(31-22)16(28)9-14-5-3-4-13(2)26-14/h6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,25,26,27,30);5,8-11,13H,3-4,6-7H2,1-2H3,(H,25,26,27,30);5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,25,26,27,30);5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,25,26,27,30);3-5,10-12H,6-9H2,1-2H3,(H,24,25,27,30)/t11-;14-;13-;12-;13-;12-/m000000/s1
InChIKeyBOOGZOBWXBFKCQ-GVQULCTRSA-N
MW2680.06 g/mol
LogP21.56
Rot. Bonds42
About 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157413466) has the molecular formula C134H126F3N29O18S6 and a molecular weight of 2680.06 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one |
|---|---|
| PubChem CID | 157413466 |
| Molecular Formula | C134H126F3N29O18S6 |
| Molecular Weight | 2680.06 g/mol |
| Exact Mass | 2677.81 |
| IUPAC Name | 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one |
| SMILES | Cc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ccn1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C23H20F3N5O3S.C23H22N4O3S.4C22H21N5O3S/c1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-13-4-3-5-15(8-13)10-17(28)19-11-24-23(31-19)14(2)9-18(29)21-16-6-7-20(30)27-22(16)26-12-25-21;1-12-5-14(9-23-8-12)7-16(28)18-10-24-22(31-18)13(2)6-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(7-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20)22-24-10-18(31-22)16(28)9-14-5-6-23-13(2)8-14;1-12-5-6-23-14(7-12)9-16(28)18-10-24-22(31-18)13(2)8-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(8-17(29)20-15-6-7-19(30)27-21(15)25-11-24-20)22-23-10-18(31-22)16(28)9-14-5-3-4-13(2)26-14/h6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,25,26,27,30);5,8-11,13H,3-4,6-7H2,1-2H3,(H,25,26,27,30);5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,25,26,27,30);5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,25,26,27,30);3-5,10-12H,6-9H2,1-2H3,(H,24,25,27,30)/t11-;14-;13-;12-;13-;12-/m000000/s1 |
| InChIKey | BOOGZOBWXBFKCQ-GVQULCTRSA-N |
| XLogP | 21.56 |
| TPSA | 675.91 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 190 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2680.06 |
| LogP ≤ 5 | 21.56 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 47 |
Frequently Asked Questions
What is the IUPAC name of 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 157413466) is 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1cc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)ccn1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cccc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)n1.Cc1ccnc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1cncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)c1.Cc1ncc(CC(=O)c2cnc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)s2)cc1C(F)(F)F.
What is the InChIKey of 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BOOGZOBWXBFKCQ-GVQULCTRSA-N. The full InChI is InChI=1S/C23H20F3N5O3S.C23H22N4O3S.4C22H21N5O3S/c1-11(5-17(33)20-14-3-4-19(34)31-21(14)30-10-29-20)22-28-9-18(35-22)16(32)7-13-6-15(23(24,25)26)12(2)27-8-13;1-13-4-3-5-15(8-13)10-17(28)19-11-24-23(31-19)14(2)9-18(29)21-16-6-7-20(30)27-22(16)26-12-25-21;1-12-5-14(9-23-8-12)7-16(28)18-10-24-22(31-18)13(2)6-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(7-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20)22-24-10-18(31-22)16(28)9-14-5-6-23-13(2)8-14;1-12-5-6-23-14(7-12)9-16(28)18-10-24-22(31-18)13(2)8-17(29)20-15-3-4-19(30)27-21(15)26-11-25-20;1-12(8-17(29)20-15-6-7-19(30)27-21(15)25-11-24-20)22-23-10-18(31-22)16(28)9-14-5-3-4-13(2)26-14/h6,8-11H,3-5,7H2,1-2H3,(H,29,30,31,34);3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H,25,26,27,30);5,8-11,13H,3-4,6-7H2,1-2H3,(H,25,26,27,30);5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,25,26,27,30);5-7,10-11,13H,3-4,8-9H2,1-2H3,(H,25,26,27,30);3-5,10-12H,6-9H2,1-2H3,(H,24,25,27,30)/t11-;14-;13-;12-;13-;12-/m000000/s1.
What are the key properties of 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2680.06 g/mol, XLogP of 21.56, 42 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157413466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157413466 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.