C114H109N23O10S — CID 158267253
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide;N-(2-methoxy-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide;N-(2-methyl-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 158267253) has the molecular formula C114H109N23O10S and a molecular weight of 1993.34 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide;N-(2-methoxy-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide;N-(2-methyl-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide.
| Compound Name | 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide;N-(2-methoxy-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide;N-(2-methyl-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide |
|---|---|
| PubChem CID | 158267253 |
| Molecular Formula | C114H109N23O10S |
| Molecular Weight | 1993.34 g/mol |
| Exact Mass | 1991.84 |
| IUPAC Name | 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(2-methyl-4-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide;N-(2-methoxy-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide;N-(2-methyl-4-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide |
| SMILES | COc1cc(NC(=O)C2(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CCC2)ccn1.CS(=O)(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)cn1.Cc1cc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)ccn1.Cc1cc(NC(=O)C2(c3ccc(-c4cnc5[nH]ccc5c4)cc3)CCC2)ccn1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)c(CO)c4)cc3)CCOCC2)nc1 |
| InChI | InChI=1S/C24H23N5O3.C24H22N4O2.C24H22N4O.C21H21N5O3S.C21H21N5O/c25-12-16-1-6-21(27-13-16)29-23(31)24(7-9-32-10-8-24)20-4-2-17(3-5-20)18-11-19(15-30)22(26)28-14-18;1-30-21-14-20(8-12-25-21)28-23(29)24(9-2-10-24)19-5-3-16(4-6-19)18-13-17-7-11-26-22(17)27-15-18;1-16-13-21(8-12-25-16)28-23(29)24(9-2-10-24)20-5-3-17(4-6-20)19-14-18-7-11-26-22(18)27-15-19;1-30(28,29)18-8-7-17(13-23-18)26-19(27)21(9-2-10-21)16-5-3-14(4-6-16)15-11-24-20(22)25-12-15;1-14-11-18(7-10-23-14)26-19(27)21(8-2-9-21)17-5-3-15(4-6-17)16-12-24-20(22)25-13-16/h1-6,11,13-14,30H,7-10,15H2,(H2,26,28)(H,27,29,31);3-8,11-15H,2,9-10H2,1H3,(H,26,27)(H,25,28,29);3-8,11-15H,2,9-10H2,1H3,(H,26,27)(H,25,28,29);3-8,11-13H,2,9-10H2,1H3,(H,26,27)(H2,22,24,25);3-7,10-13H,2,8-9H2,1H3,(H2,22,24,25)(H,23,26,27) |
| InChIKey | GIPGYSPGOFFTCO-UHFFFAOYSA-N |
| XLogP | 18.54 |
| TPSA | 506.44 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1993.34 |
| LogP ≤ 5 | 18.54 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |