C135H158ClN27O7 — CID 160503466
3-chloro-N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]cyclopentanecarboxamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(4-methylpiperidin-1-yl)methanone;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-4-morpholin-4-ylbenzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 160503466) has the molecular formula C135H158ClN27O7 and a molecular weight of 2306.38 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]cyclopentanecarboxamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(4-methylpiperidin-1-yl)methanone;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-4-morpholin-4-ylbenzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide.
| Compound Name | 3-chloro-N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]cyclopentanecarboxamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(4-methylpiperidin-1-yl)methanone;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-4-morpholin-4-ylbenzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide |
|---|---|
| PubChem CID | 160503466 |
| Molecular Formula | C135H158ClN27O7 |
| Molecular Weight | 2306.38 g/mol |
| Exact Mass | 2304.25 |
| IUPAC Name | 3-chloro-N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]benzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]cyclopentanecarboxamide;[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-(4-methylpiperidin-1-yl)methanone;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-4-morpholin-4-ylbenzamide;N-[3-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-1,3-oxazole-4-carboxamide |
| SMILES | CC1CCN(C(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)CC1.O=C(Nc1cccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)c1)C1CCCC1.O=C(Nc1cccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)c1)c1ccc(N2CCOCC2)cc1.O=C(Nc1cccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)c1)c1cccc(Cl)c1.O=C(Nc1cccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)c1)c1cocn1 |
| InChI | InChI=1S/C31H36N6O2.C27H28ClN5O.C27H35N5O.C26H33N5O.C24H26N6O2/c38-31(23-10-12-26(13-11-23)37-17-19-39-20-18-37)34-25-8-4-5-22(21-25)9-14-27-29-28(36-35-27)15-16-32-30(29)33-24-6-2-1-3-7-24;28-20-8-5-7-19(17-20)27(34)31-22-11-4-6-18(16-22)12-13-23-25-24(33-32-23)14-15-29-26(25)30-21-9-2-1-3-10-21;1-19-14-17-32(18-15-19)27(33)21-10-7-20(8-11-21)9-12-23-25-24(31-30-23)13-16-28-26(25)29-22-5-3-2-4-6-22;32-26(19-8-4-5-9-19)29-21-12-6-7-18(17-21)13-14-22-24-23(31-30-22)15-16-27-25(24)28-20-10-2-1-3-11-20;31-24(21-14-32-15-26-21)28-18-8-4-5-16(13-18)9-10-19-22-20(30-29-19)11-12-25-23(22)27-17-6-2-1-3-7-17/h4-5,8,10-13,15-16,21,24H,1-3,6-7,9,14,17-20H2,(H,32,33)(H,34,38)(H,35,36);4-8,11,14-17,21H,1-3,9-10,12-13H2,(H,29,30)(H,31,34)(H,32,33);7-8,10-11,13,16,19,22H,2-6,9,12,14-15,17-18H2,1H3,(H,28,29)(H,30,31);6-7,12,15-17,19-20H,1-5,8-11,13-14H2,(H,27,28)(H,29,32)(H,30,31);4-5,8,11-15,17H,1-3,6-7,9-10H2,(H,25,27)(H,28,31)(H,29,30) |
| InChIKey | QSCALOWRCHYOJH-UHFFFAOYSA-N |
| XLogP | 27.67 |
| TPSA | 443.21 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 170 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.38 |
| LogP ≤ 5 | 27.67 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 24 |