C156H171N37O8 — CID 158288240
4-acetamido-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylimidazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 158288240) has the molecular formula C156H171N37O8 and a molecular weight of 2692.33 g/mol. Its IUPAC name is 4-acetamido-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylimidazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-4-carboxamide.
| Compound Name | 4-acetamido-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylimidazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158288240 |
| Molecular Formula | C156H171N37O8 |
| Molecular Weight | 2692.33 g/mol |
| Exact Mass | 2690.41 |
| IUPAC Name | 4-acetamido-N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1-methylimidazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-2-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide;N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-4-carboxamide |
| SMILES | CC(=O)Nc1ccc(C(=O)Nc2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)cc1.Cn1cnc(C(=O)Nc2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1.O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1ccccn1.O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1cccnc1.O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1ccncc1.O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1cocn1 |
| InChI | InChI=1S/C29H32N6O2.3C26H28N6O.C25H29N7O.C24H26N6O2/c1-19(36)31-23-14-10-21(11-15-23)29(37)33-24-12-7-20(8-13-24)9-16-25-27-26(35-34-25)17-18-30-28(27)32-22-5-3-2-4-6-22;33-26(19-5-4-15-27-17-19)30-21-11-8-18(9-12-21)10-13-22-24-23(32-31-22)14-16-28-25(24)29-20-6-2-1-3-7-20;33-26(23-8-4-5-16-27-23)30-20-12-9-18(10-13-20)11-14-21-24-22(32-31-21)15-17-28-25(24)29-19-6-2-1-3-7-19;33-26(19-12-15-27-16-13-19)30-21-9-6-18(7-10-21)8-11-22-24-23(32-31-22)14-17-28-25(24)29-20-4-2-1-3-5-20;1-32-15-22(27-16-32)25(33)29-19-10-7-17(8-11-19)9-12-20-23-21(31-30-20)13-14-26-24(23)28-18-5-3-2-4-6-18;31-24(21-14-32-15-26-21)28-18-9-6-16(7-10-18)8-11-19-22-20(30-29-19)12-13-25-23(22)27-17-4-2-1-3-5-17/h7-8,10-15,17-18,22H,2-6,9,16H2,1H3,(H,30,32)(H,31,36)(H,33,37)(H,34,35);4-5,8-9,11-12,14-17,20H,1-3,6-7,10,13H2,(H,28,29)(H,30,33)(H,31,32);4-5,8-10,12-13,15-17,19H,1-3,6-7,11,14H2,(H,28,29)(H,30,33)(H,31,32);6-7,9-10,12-17,20H,1-5,8,11H2,(H,28,29)(H,30,33)(H,31,32);7-8,10-11,13-16,18H,2-6,9,12H2,1H3,(H,26,28)(H,29,33)(H,30,31);6-7,9-10,12-15,17H,1-5,8,11H2,(H,25,27)(H,28,31)(H,29,30) |
| InChIKey | GLAVJMFNLILAFR-UHFFFAOYSA-N |
| XLogP | 30.30 |
| TPSA | 607.82 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2692.33 |
| LogP ≤ 5 | 30.30 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 32 |