4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
C200H217N33O21 — CID 158634891
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(C)OC(=O)CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3ccn(Cc4ccc(C(=O)NO)cc4)c3cn2)CC1.CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC1CN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC(C)O1.CN1CCN(Cc2cccc(-c3ccnc4c3ccn4Cc3ccc(C(=O)CO)cc3)c2)CC1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CC=C(c5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccccc5)CC4)cnc32)cc1
InChIInChI=1S/C28H30N4O2.C27H28N4O2.C26H27N5O2.C26H32N4O4.C26H24N4O2.C25H28N4O4.C21H24N4O3.C21H24N4O2/c1-30-13-15-31(16-14-30)18-22-3-2-4-24(17-22)25-9-11-29-28-26(25)10-12-32(28)19-21-5-7-23(8-6-21)27(34)20-33;32-27(29-33)23-8-6-21(7-9-23)19-31-15-12-24-16-25(17-28-26(24)31)22-10-13-30(14-11-22)18-20-4-2-1-3-5-20;32-26(28-33)22-8-6-21(7-9-22)19-31-11-10-23-16-24(17-27-25(23)31)30-14-12-29(13-15-30)18-20-4-2-1-3-5-20;1-26(2,3)34-23(31)14-18-8-11-29(12-9-18)22-15-21-10-13-30(24(21)27-16-22)17-19-4-6-20(7-5-19)25(32)28-33;31-26(28-32)22-8-6-19(7-9-22)18-30-15-12-23-16-24(17-27-25(23)30)29-13-10-21(11-14-29)20-4-2-1-3-5-20;1-25(2,3)33-24(31)28-11-8-18(9-12-28)21-14-20-10-13-29(22(20)15-26-21)16-17-4-6-19(7-5-17)23(30)27-32;1-14-11-25(12-15(2)28-14)19-9-18-7-8-24(20(18)22-10-19)13-16-3-5-17(6-4-16)21(26)23-27;1-15-6-9-24(10-7-15)19-12-18-8-11-25(20(18)22-13-19)14-16-2-4-17(5-3-16)21(26)23-27/h2-12,17,33H,13-16,18-20H2,1H3;1-9,12,15-17,22,33H,10-11,13-14,18-19H2,(H,29,32);1-11,16-17,33H,12-15,18-19H2,(H,28,32);4-7,10,13,15-16,18,33H,8-9,11-12,14,17H2,1-3H3,(H,28,32);1-10,12,15-17,32H,11,13-14,18H2,(H,28,31);4-8,10,13-15,32H,9,11-12,16H2,1-3H3,(H,27,30);3-10,14-15,27H,11-13H2,1-2H3,(H,23,26);2-5,8,11-13,15,27H,6-7,9-10,14H2,1H3,(H,23,26)
InChIKeyHZQMWHVYNBUCFU-UHFFFAOYSA-N
MW3419.15 g/mol
LogP30.92
Rot. Bonds42
About 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 158634891) has the molecular formula C200H217N33O21 and a molecular weight of 3419.15 g/mol. Its IUPAC name is 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
Molecular Properties
| Compound Name | 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide |
|---|---|
| PubChem CID | 158634891 |
| Molecular Formula | C200H217N33O21 |
| Molecular Weight | 3419.15 g/mol |
| Exact Mass | 3416.69 |
| IUPAC Name | 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide |
| SMILES | CC(C)(C)OC(=O)CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3ccn(Cc4ccc(C(=O)NO)cc4)c3cn2)CC1.CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC1CN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC(C)O1.CN1CCN(Cc2cccc(-c3ccnc4c3ccn4Cc3ccc(C(=O)CO)cc3)c2)CC1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CC=C(c5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccccc5)CC4)cnc32)cc1 |
| InChI | InChI=1S/C28H30N4O2.C27H28N4O2.C26H27N5O2.C26H32N4O4.C26H24N4O2.C25H28N4O4.C21H24N4O3.C21H24N4O2/c1-30-13-15-31(16-14-30)18-22-3-2-4-24(17-22)25-9-11-29-28-26(25)10-12-32(28)19-21-5-7-23(8-6-21)27(34)20-33;32-27(29-33)23-8-6-21(7-9-23)19-31-15-12-24-16-25(17-28-26(24)31)22-10-13-30(14-11-22)18-20-4-2-1-3-5-20;32-26(28-33)22-8-6-21(7-9-22)19-31-11-10-23-16-24(17-27-25(23)31)30-14-12-29(13-15-30)18-20-4-2-1-3-5-20;1-26(2,3)34-23(31)14-18-8-11-29(12-9-18)22-15-21-10-13-30(24(21)27-16-22)17-19-4-6-20(7-5-19)25(32)28-33;31-26(28-32)22-8-6-19(7-9-22)18-30-15-12-23-16-24(17-27-25(23)30)29-13-10-21(11-14-29)20-4-2-1-3-5-20;1-25(2,3)33-24(31)28-11-8-18(9-12-28)21-14-20-10-13-29(22(20)15-26-21)16-17-4-6-19(7-5-17)23(30)27-32;1-14-11-25(12-15(2)28-14)19-9-18-7-8-24(20(18)22-10-19)13-16-3-5-17(6-4-16)21(26)23-27;1-15-6-9-24(10-7-15)19-12-18-8-11-25(20(18)22-13-19)14-16-2-4-17(5-3-16)21(26)23-27/h2-12,17,33H,13-16,18-20H2,1H3;1-9,12,15-17,22,33H,10-11,13-14,18-19H2,(H,29,32);1-11,16-17,33H,12-15,18-19H2,(H,28,32);4-7,10,13,15-16,18,33H,8-9,11-12,14,17H2,1-3H3,(H,28,32);1-10,12,15-17,32H,11,13-14,18H2,(H,28,31);4-8,10,13-15,32H,9,11-12,16H2,1-3H3,(H,27,30);3-10,14-15,27H,11-13H2,1-2H3,(H,23,26);2-5,8,11-13,15,27H,6-7,9-10,14H2,1H3,(H,23,26) |
| InChIKey | HZQMWHVYNBUCFU-UHFFFAOYSA-N |
| XLogP | 30.92 |
| TPSA | 619.40 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 254 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3419.15 |
| LogP ≤ 5 | 30.92 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 46 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 158634891) is 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is CC(C)(C)OC(=O)CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3ccn(Cc4ccc(C(=O)NO)cc4)c3cn2)CC1.CC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC1CN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC(C)O1.CN1CCN(Cc2cccc(-c3ccnc4c3ccn4Cc3ccc(C(=O)CO)cc3)c2)CC1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CC=C(c5ccccc5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccccc5)CC4)cnc32)cc1.
What is the InChIKey of 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is HZQMWHVYNBUCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C27H28N4O2.C26H27N5O2.C26H32N4O4.C26H24N4O2.C25H28N4O4.C21H24N4O3.C21H24N4O2/c1-30-13-15-31(16-14-30)18-22-3-2-4-24(17-22)25-9-11-29-28-26(25)10-12-32(28)19-21-5-7-23(8-6-21)27(34)20-33;32-27(29-33)23-8-6-21(7-9-23)19-31-15-12-24-16-25(17-28-26(24)31)22-10-13-30(14-11-22)18-20-4-2-1-3-5-20;32-26(28-33)22-8-6-21(7-9-22)19-31-11-10-23-16-24(17-27-25(23)31)30-14-12-29(13-15-30)18-20-4-2-1-3-5-20;1-26(2,3)34-23(31)14-18-8-11-29(12-9-18)22-15-21-10-13-30(24(21)27-16-22)17-19-4-6-20(7-5-19)25(32)28-33;31-26(28-32)22-8-6-19(7-9-22)18-30-15-12-23-16-24(17-27-25(23)30)29-13-10-21(11-14-29)20-4-2-1-3-5-20;1-25(2,3)33-24(31)28-11-8-18(9-12-28)21-14-20-10-13-29(22(20)15-26-21)16-17-4-6-19(7-5-17)23(30)27-32;1-14-11-25(12-15(2)28-14)19-9-18-7-8-24(20(18)22-10-19)13-16-3-5-17(6-4-16)21(26)23-27;1-15-6-9-24(10-7-15)19-12-18-8-11-25(20(18)22-13-19)14-16-2-4-17(5-3-16)21(26)23-27/h2-12,17,33H,13-16,18-20H2,1H3;1-9,12,15-17,22,33H,10-11,13-14,18-19H2,(H,29,32);1-11,16-17,33H,12-15,18-19H2,(H,28,32);4-7,10,13,15-16,18,33H,8-9,11-12,14,17H2,1-3H3,(H,28,32);1-10,12,15-17,32H,11,13-14,18H2,(H,28,31);4-8,10,13-15,32H,9,11-12,16H2,1-3H3,(H,27,30);3-10,14-15,27H,11-13H2,1-2H3,(H,23,26);2-5,8,11-13,15,27H,6-7,9-10,14H2,1H3,(H,23,26).
What are the key properties of 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 3419.15 g/mol, XLogP of 30.92, 42 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-(1-benzylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;tert-butyl 2-[1-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-4-yl]acetate;tert-butyl 4-[1-[[4-(hydroxycarbamoyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-(4-methylpiperidin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 158634891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158634891 — identifiers, structure, computed properties (public domain)
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