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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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

C261H299F5N40O25 — CID 159521006

IUPAC1-[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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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
SMILESCC(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)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)C(=O)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)CN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.COc1cccc(CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)c1.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(Cc5ccccc5F)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(C(=O)c5cccc(F)c5)CC4)ccnc32)cc1
InChIInChI=1S/C29H31FN4O2.C28H30N4O3.C27H25FN4O3.C27H27FN4O2.C27H35N3O2.C26H34N4O3.C26H34N4O2.C24H27FN4O3.C24H30N4O2.C23H26FN5O3/c1-20-15-33(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;1-35-24-4-2-3-21(17-24)18-31-14-10-22(11-15-31)25-9-13-29-27-26(25)12-16-32(27)19-20-5-7-23(8-6-20)28(33)30-34;28-22-3-1-2-21(16-22)27(34)31-13-9-19(10-14-31)23-8-12-29-25-24(23)11-15-32(25)17-18-4-6-20(7-5-18)26(33)30-35;28-25-4-2-1-3-23(25)18-30-11-13-31(14-12-30)24-15-22-9-10-32(27(22)29-16-24)17-20-5-7-21(8-6-20)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;1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32;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;1-23(2,24)22(31)28-13-11-27(12-14-28)19-7-9-25-20-18(19)8-10-29(20)15-16-3-5-17(6-4-16)21(30)26-32/h3-14,20-21,35H,15-19H2,1-2H3;2-9,12-13,16-17,22,34H,10-11,14-15,18-19H2,1H3,(H,30,33);1-8,11-12,15-16,19,35H,9-10,13-14,17H2,(H,30,33);1-10,15-16,33H,11-14,17-19H2;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;3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30);3-8,13-14,18,29H,9-12,15-17H2,1-2H3;3-10,32H,11-15H2,1-2H3,(H,26,30)/t20-,21+;;;;;18-,19+;;;;
InChIKeyMBUHUBUYAXHYOO-OAILXQIWSA-N
MW4491.51 g/mol
LogP38.09
Rot. Bonds64

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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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

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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 (PubChem CID 159521006) has the molecular formula C261H299F5N40O25 and a molecular weight of 4491.51 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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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.

Molecular Properties

Compound Name1-[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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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
PubChem CID159521006
Molecular FormulaC261H299F5N40O25
Molecular Weight4491.51 g/mol
Exact Mass4488.33
IUPAC Name1-[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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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
SMILESCC(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)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)C(=O)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)CN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.COc1cccc(CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)c1.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(Cc5ccccc5F)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(C(=O)c5cccc(F)c5)CC4)ccnc32)cc1
InChIInChI=1S/C29H31FN4O2.C28H30N4O3.C27H25FN4O3.C27H27FN4O2.C27H35N3O2.C26H34N4O3.C26H34N4O2.C24H27FN4O3.C24H30N4O2.C23H26FN5O3/c1-20-15-33(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;1-35-24-4-2-3-21(17-24)18-31-14-10-22(11-15-31)25-9-13-29-27-26(25)12-16-32(27)19-20-5-7-23(8-6-20)28(33)30-34;28-22-3-1-2-21(16-22)27(34)31-13-9-19(10-14-31)23-8-12-29-25-24(23)11-15-32(25)17-18-4-6-20(7-5-18)26(33)30-35;28-25-4-2-1-3-23(25)18-30-11-13-31(14-12-30)24-15-22-9-10-32(27(22)29-16-24)17-20-5-7-21(8-6-20)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;1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32;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;1-23(2,24)22(31)28-13-11-27(12-14-28)19-7-9-25-20-18(19)8-10-29(20)15-16-3-5-17(6-4-16)21(30)26-32/h3-14,20-21,35H,15-19H2,1-2H3;2-9,12-13,16-17,22,34H,10-11,14-15,18-19H2,1H3,(H,30,33);1-8,11-12,15-16,19,35H,9-10,13-14,17H2,(H,30,33);1-10,15-16,33H,11-14,17-19H2;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;3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30);3-8,13-14,18,29H,9-12,15-17H2,1-2H3;3-10,32H,11-15H2,1-2H3,(H,26,30)/t20-,21+;;;;;18-,19+;;;;
InChIKeyMBUHUBUYAXHYOO-OAILXQIWSA-N
XLogP38.09
TPSA731.83 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds64
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004491.51
LogP ≤ 538.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

Analyze 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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 with MolForge

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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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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?
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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 (CID 159521006) 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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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.
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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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?
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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 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)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)C(=O)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)CN1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.COc1cccc(CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)c1.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(Cc5ccccc5F)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(C(=O)c5cccc(F)c5)CC4)ccnc32)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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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?
The InChIKey is MBUHUBUYAXHYOO-OAILXQIWSA-N. The full InChI is InChI=1S/C29H31FN4O2.C28H30N4O3.C27H25FN4O3.C27H27FN4O2.C27H35N3O2.C26H34N4O3.C26H34N4O2.C24H27FN4O3.C24H30N4O2.C23H26FN5O3/c1-20-15-33(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;1-35-24-4-2-3-21(17-24)18-31-14-10-22(11-15-31)25-9-13-29-27-26(25)12-16-32(27)19-20-5-7-23(8-6-20)28(33)30-34;28-22-3-1-2-21(16-22)27(34)31-13-9-19(10-14-31)23-8-12-29-25-24(23)11-15-32(25)17-18-4-6-20(7-5-18)26(33)30-35;28-25-4-2-1-3-23(25)18-30-11-13-31(14-12-30)24-15-22-9-10-32(27(22)29-16-24)17-20-5-7-21(8-6-20)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;1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32;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;1-23(2,24)22(31)28-13-11-27(12-14-28)19-7-9-25-20-18(19)8-10-29(20)15-16-3-5-17(6-4-16)21(30)26-32/h3-14,20-21,35H,15-19H2,1-2H3;2-9,12-13,16-17,22,34H,10-11,14-15,18-19H2,1H3,(H,30,33);1-8,11-12,15-16,19,35H,9-10,13-14,17H2,(H,30,33);1-10,15-16,33H,11-14,17-19H2;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;3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30);3-8,13-14,18,29H,9-12,15-17H2,1-2H3;3-10,32H,11-15H2,1-2H3,(H,26,30)/t20-,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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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?
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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 has a molecular weight of 4491.51 g/mol, XLogP of 38.09, 64 rotatable bonds, 15 hydrogen bond donors, and 58 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;4-[[4-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropanoyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;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-[(2-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-[[4-[1-[(3-methoxyphenyl)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 is sourced from PubChem (CID 159521006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).