1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C301H352F3N47O24 — CID 159137386

About 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 159137386) has the molecular formula C301H352F3N47O24 and a molecular weight of 5069.43 g/mol. Its IUPAC name is 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
• PubChem CID: 159137386
• Molecular Formula: C301H352F3N47O24
• Molecular Weight: 5069.43 g/mol
• Exact Mass: 5065.77
• IUPAC Name: 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
• SMILES: CC(C)(C)CCN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)(C)CCN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)CN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CN1CCN(Cc2cccc(CN3CCC(c4cnc5c(ccn5Cc5ccc(C(=O)NO)cc5)c4)CC3)c2)CC1.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1CC(C)(C)O.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1Cc1cccc(F)c1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccc(F)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(Cc5cccc(F)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ncccn5)CC4)cnc32)cc1
• InChI: InChI=1S/C33H40N6O2.C32H37N5O3.C29H31FN4O2.2C27H27FN4O2.C27H35N3O2.C26H34N4O3.C26H34N4O2.C25H26N6O2.C25H31N3O2.C24H30N4O2/c1-36-15-17-38(18-16-36)23-27-4-2-3-26(19-27)22-37-12-9-28(10-13-37)31-20-30-11-14-39(32(30)34-21-31)24-25-5-7-29(8-6-25)33(40)35-41;38-32(34-39)28-6-4-24(5-7-28)23-37-13-10-29-19-30(20-33-31(29)37)27-8-11-35(12-9-27)21-25-2-1-3-26(18-25)22-36-14-16-40-17-15-36;1-20-15-33(16-21(2)34(20)18-23-4-3-5-26(30)12-23)27-13-25-10-11-32(29(25)31-14-27)17-22-6-8-24(9-7-22)28(36)19-35;28-24-7-3-20(4-8-24)17-30-11-13-31(14-12-30)25-15-23-9-10-32(27(23)29-16-25)18-21-1-5-22(6-2-21)26(34)19-33;28-24-3-1-2-21(14-24)17-30-10-12-31(13-11-30)25-15-23-8-9-32(27(23)29-16-25)18-20-4-6-22(7-5-20)26(34)19-33;1-27(2,3)11-15-29-12-8-21(9-13-29)24-16-23-10-14-30(26(23)28-17-24)18-20-4-6-22(7-5-20)25(32)19-31;1-18-13-29(14-19(2)30(18)17-26(3,4)33)23-11-22-9-10-28(25(22)27-12-23)15-20-5-7-21(8-6-20)24(32)16-31;1-26(2,3)9-11-28-12-14-29(15-13-28)23-16-22-8-10-30(25(22)27-17-23)18-20-4-6-21(7-5-20)24(32)19-31;32-25(29-33)20-4-2-18(3-5-20)16-31-13-8-21-14-22(15-28-24(21)31)19-6-11-30(12-7-19)17-23-26-9-1-10-27-23;1-18(2)15-27-10-7-20(8-11-27)23-13-22-9-12-28(25(22)26-14-23)16-19-3-5-21(6-4-19)24(30)17-29;1-18(2)15-26-9-11-27(12-10-26)22-13-21-7-8-28(24(21)25-14-22)16-19-3-5-20(6-4-19)23(30)17-29/h2-8,11,14,19-21,28,41H,9-10,12-13,15-18,22-24H2,1H3,(H,35,40);1-7,10,13,18-20,27,39H,8-9,11-12,14-17,21-23H2,(H,34,38);3-14,20-21,35H,15-19H2,1-2H3;1-10,15-16,33H,11-14,17-19H2;1-9,14-16,33H,10-13,17-19H2;4-7,10,14,16-17,21,31H,8-9,11-13,15,18-19H2,1-3H3;5-12,18-19,31,33H,13-17H2,1-4H3;4-8,10,16-17,31H,9,11-15,18-19H2,1-3H3;1-5,8-10,13-15,19,33H,6-7,11-12,16-17H2,(H,29,32);3-6,9,12-14,18,20,29H,7-8,10-11,15-17H2,1-2H3;3-8,13-14,18,29H,9-12,15-17H2,1-2H3/t;;20-,21+;;;;18-,19+
• InChIKey: KHQZCEZDINSMLJ-ULFPXZNLSA-N
• XLogP: 42.81
• TPSA: 762.45 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 68
• Rotatable Bonds: 78
• Heavy Atoms: 375
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5069.43
LogP ≤ 5	42.81
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?

The IUPAC name of 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 159137386) is 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

What is the SMILES notation for 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?

The canonical SMILES for 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is CC(C)(C)CCN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)(C)CCN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CC(C)CN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.CN1CCN(Cc2cccc(CN3CCC(c4cnc5c(ccn5Cc5ccc(C(=O)NO)cc5)c4)CC3)c2)CC1.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1CC(C)(C)O.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1Cc1cccc(F)c1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccc(F)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(Cc5cccc(F)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ncccn5)CC4)cnc32)cc1.

What is the InChIKey of 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?

The InChIKey is KHQZCEZDINSMLJ-ULFPXZNLSA-N. The full InChI is InChI=1S/C33H40N6O2.C32H37N5O3.C29H31FN4O2.2C27H27FN4O2.C27H35N3O2.C26H34N4O3.C26H34N4O2.C25H26N6O2.C25H31N3O2.C24H30N4O2/c1-36-15-17-38(18-16-36)23-27-4-2-3-26(19-27)22-37-12-9-28(10-13-37)31-20-30-11-14-39(32(30)34-21-31)24-25-5-7-29(8-6-25)33(40)35-41;38-32(34-39)28-6-4-24(5-7-28)23-37-13-10-29-19-30(20-33-31(29)37)27-8-11-35(12-9-27)21-25-2-1-3-26(18-25)22-36-14-16-40-17-15-36;1-20-15-33(16-21(2)34(20)18-23-4-3-5-26(30)12-23)27-13-25-10-11-32(29(25)31-14-27)17-22-6-8-24(9-7-22)28(36)19-35;28-24-7-3-20(4-8-24)17-30-11-13-31(14-12-30)25-15-23-9-10-32(27(23)29-16-25)18-21-1-5-22(6-2-21)26(34)19-33;28-24-3-1-2-21(14-24)17-30-10-12-31(13-11-30)25-15-23-8-9-32(27(23)29-16-25)18-20-4-6-22(7-5-20)26(34)19-33;1-27(2,3)11-15-29-12-8-21(9-13-29)24-16-23-10-14-30(26(23)28-17-24)18-20-4-6-22(7-5-20)25(32)19-31;1-18-13-29(14-19(2)30(18)17-26(3,4)33)23-11-22-9-10-28(25(22)27-12-23)15-20-5-7-21(8-6-20)24(32)16-31;1-26(2,3)9-11-28-12-14-29(15-13-28)23-16-22-8-10-30(25(22)27-17-23)18-20-4-6-21(7-5-20)24(32)19-31;32-25(29-33)20-4-2-18(3-5-20)16-31-13-8-21-14-22(15-28-24(21)31)19-6-11-30(12-7-19)17-23-26-9-1-10-27-23;1-18(2)15-27-10-7-20(8-11-27)23-13-22-9-12-28(25(22)26-14-23)16-19-3-5-21(6-4-19)24(30)17-29;1-18(2)15-26-9-11-27(12-10-26)22-13-21-7-8-28(24(21)25-14-22)16-19-3-5-20(6-4-19)23(30)17-29/h2-8,11,14,19-21,28,41H,9-10,12-13,15-18,22-24H2,1H3,(H,35,40);1-7,10,13,18-20,27,39H,8-9,11-12,14-17,21-23H2,(H,34,38);3-14,20-21,35H,15-19H2,1-2H3;1-10,15-16,33H,11-14,17-19H2;1-9,14-16,33H,10-13,17-19H2;4-7,10,14,16-17,21,31H,8-9,11-13,15,18-19H2,1-3H3;5-12,18-19,31,33H,13-17H2,1-4H3;4-8,10,16-17,31H,9,11-15,18-19H2,1-3H3;1-5,8-10,13-15,19,33H,6-7,11-12,16-17H2,(H,29,32);3-6,9,12-14,18,20,29H,7-8,10-11,15-17H2,1-2H3;3-8,13-14,18,29H,9-12,15-17H2,1-2H3/t;;20-,21+;;;;18-,19+;;;;.

What are the key properties of 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?

1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 5069.43 g/mol, XLogP of 42.81, 78 rotatable bonds, 15 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-(3,3-dimethylbutyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3R,5S)-4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[[5-[(3R,5S)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[4-(2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;N-hydroxy-4-[[5-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 159137386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).