4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C240H280N42O19 — CID 158439733

IUPAC4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(=O)NO)cc4)c3n2)CC1.CN1CCN(Cc2ccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)cc2)CC1.CN1CCN(Cc2cccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)c2)CC1.CN1CCN(c2ccccc2CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)CC1.C[C@@H]1CC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1Cc1ccccc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccc(CN6CCOCC6)cc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(CN6CCOCC6)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ncccn5)CC4)ccnc32)cc1
InChIInChI=1S/2C33H40N6O2.C32H38N6O2.2C32H37N5O3.C29H32N4O2.C25H26N6O2.C24H30N4O3/c1-36-18-20-38(21-19-36)23-26-4-2-25(3-5-26)22-37-15-11-28(12-16-37)30-10-14-34-32-31(30)13-17-39(32)24-27-6-8-29(9-7-27)33(40)35-41;1-36-17-19-38(20-18-36)23-27-4-2-3-26(21-27)22-37-14-10-28(11-15-37)30-9-13-34-32-31(30)12-16-39(32)24-25-5-7-29(8-6-25)33(40)35-41;1-35-18-20-37(21-19-35)30-5-3-2-4-27(30)23-36-15-11-25(12-16-36)28-10-14-33-31-29(28)13-17-38(31)22-24-6-8-26(9-7-24)32(39)34-40;38-32(34-39)28-7-5-26(6-8-28)23-37-16-12-30-29(9-13-33-31(30)37)27-10-14-35(15-11-27)21-24-1-3-25(4-2-24)22-36-17-19-40-20-18-36;38-32(34-39)28-6-4-24(5-7-28)23-37-15-11-30-29(8-12-33-31(30)37)27-9-13-35(14-10-27)21-25-2-1-3-26(20-25)22-36-16-18-40-19-17-36;1-20-16-25(17-21(2)33(20)19-22-6-4-3-5-7-22)26-12-14-30-28-27(26)13-15-32(28)18-23-8-10-24(11-9-23)29(34)31-35;32-25(29-33)20-4-2-18(3-5-20)16-31-15-9-22-21(6-12-28-24(22)31)19-7-13-30(14-8-19)17-23-26-10-1-11-27-23;1-24(2,30)16-27-12-9-18(10-13-27)21-8-7-19-11-14-28(22(19)25-21)15-17-3-5-20(6-4-17)23(29)26-31/h2-10,13-14,17,28,41H,11-12,15-16,18-24H2,1H3,(H,35,40);2-9,12-13,16,21,28,41H,10-11,14-15,17-20,22-24H2,1H3,(H,35,40);2-10,13-14,17,25,40H,11-12,15-16,18-23H2,1H3,(H,34,39);1-9,12-13,16,27,39H,10-11,14-15,17-23H2,(H,34,38);1-8,11-12,15,20,27,39H,9-10,13-14,16-19,21-23H2,(H,34,38);3-15,20-21,25,35H,16-19H2,1-2H3,(H,31,34);1-6,9-12,15,19,33H,7-8,13-14,16-17H2,(H,29,32);3-8,11,14,18,30-31H,9-10,12-13,15-16H2,1-2H3,(H,26,29)/t;;;;;20-,21+,25?;;
InChIKeyHCQYIMMFMOEVCR-KUFJSJQMSA-N
MW4057.15 g/mol
LogP33.71
Rot. Bonds57

About 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 158439733) has the molecular formula C240H280N42O19 and a molecular weight of 4057.15 g/mol. Its IUPAC name is 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID158439733
Molecular FormulaC240H280N42O19
Molecular Weight4057.15 g/mol
Exact Mass4054.22
IUPAC Name4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(=O)NO)cc4)c3n2)CC1.CN1CCN(Cc2ccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)cc2)CC1.CN1CCN(Cc2cccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)c2)CC1.CN1CCN(c2ccccc2CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)CC1.C[C@@H]1CC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1Cc1ccccc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccc(CN6CCOCC6)cc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(CN6CCOCC6)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ncccn5)CC4)ccnc32)cc1
InChIInChI=1S/2C33H40N6O2.C32H38N6O2.2C32H37N5O3.C29H32N4O2.C25H26N6O2.C24H30N4O3/c1-36-18-20-38(21-19-36)23-26-4-2-25(3-5-26)22-37-15-11-28(12-16-37)30-10-14-34-32-31(30)13-17-39(32)24-27-6-8-29(9-7-27)33(40)35-41;1-36-17-19-38(20-18-36)23-27-4-2-3-26(21-27)22-37-14-10-28(11-15-37)30-9-13-34-32-31(30)12-16-39(32)24-25-5-7-29(8-6-25)33(40)35-41;1-35-18-20-37(21-19-35)30-5-3-2-4-27(30)23-36-15-11-25(12-16-36)28-10-14-33-31-29(28)13-17-38(31)22-24-6-8-26(9-7-24)32(39)34-40;38-32(34-39)28-7-5-26(6-8-28)23-37-16-12-30-29(9-13-33-31(30)37)27-10-14-35(15-11-27)21-24-1-3-25(4-2-24)22-36-17-19-40-20-18-36;38-32(34-39)28-6-4-24(5-7-28)23-37-15-11-30-29(8-12-33-31(30)37)27-9-13-35(14-10-27)21-25-2-1-3-26(20-25)22-36-16-18-40-19-17-36;1-20-16-25(17-21(2)33(20)19-22-6-4-3-5-7-22)26-12-14-30-28-27(26)13-15-32(28)18-23-8-10-24(11-9-23)29(34)31-35;32-25(29-33)20-4-2-18(3-5-20)16-31-15-9-22-21(6-12-28-24(22)31)19-7-13-30(14-8-19)17-23-26-10-1-11-27-23;1-24(2,30)16-27-12-9-18(10-13-27)21-8-7-19-11-14-28(22(19)25-21)15-17-3-5-20(6-4-17)23(29)26-31/h2-10,13-14,17,28,41H,11-12,15-16,18-24H2,1H3,(H,35,40);2-9,12-13,16,21,28,41H,10-11,14-15,17-20,22-24H2,1H3,(H,35,40);2-10,13-14,17,25,40H,11-12,15-16,18-23H2,1H3,(H,34,39);1-9,12-13,16,27,39H,10-11,14-15,17-23H2,(H,34,38);1-8,11-12,15,20,27,39H,9-10,13-14,16-19,21-23H2,(H,34,38);3-15,20-21,25,35H,16-19H2,1-2H3,(H,31,34);1-6,9-12,15,19,33H,7-8,13-14,16-17H2,(H,29,32);3-8,11,14,18,30-31H,9-10,12-13,15-16H2,1-2H3,(H,26,29)/t;;;;;20-,21+,25?;;
InChIKeyHCQYIMMFMOEVCR-KUFJSJQMSA-N
XLogP33.71
TPSA653.51 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds57
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004057.15
LogP ≤ 533.71
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 158439733) is 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is CC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(=O)NO)cc4)c3n2)CC1.CN1CCN(Cc2ccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)cc2)CC1.CN1CCN(Cc2cccc(CN3CCC(c4ccnc5c4ccn5Cc4ccc(C(=O)NO)cc4)CC3)c2)CC1.CN1CCN(c2ccccc2CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)CC1.C[C@@H]1CC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1Cc1ccccc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccc(CN6CCOCC6)cc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(CN6CCOCC6)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ncccn5)CC4)ccnc32)cc1.
What is the InChIKey of 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is HCQYIMMFMOEVCR-KUFJSJQMSA-N. The full InChI is InChI=1S/2C33H40N6O2.C32H38N6O2.2C32H37N5O3.C29H32N4O2.C25H26N6O2.C24H30N4O3/c1-36-18-20-38(21-19-36)23-26-4-2-25(3-5-26)22-37-15-11-28(12-16-37)30-10-14-34-32-31(30)13-17-39(32)24-27-6-8-29(9-7-27)33(40)35-41;1-36-17-19-38(20-18-36)23-27-4-2-3-26(21-27)22-37-14-10-28(11-15-37)30-9-13-34-32-31(30)12-16-39(32)24-25-5-7-29(8-6-25)33(40)35-41;1-35-18-20-37(21-19-35)30-5-3-2-4-27(30)23-36-15-11-25(12-16-36)28-10-14-33-31-29(28)13-17-38(31)22-24-6-8-26(9-7-24)32(39)34-40;38-32(34-39)28-7-5-26(6-8-28)23-37-16-12-30-29(9-13-33-31(30)37)27-10-14-35(15-11-27)21-24-1-3-25(4-2-24)22-36-17-19-40-20-18-36;38-32(34-39)28-6-4-24(5-7-28)23-37-15-11-30-29(8-12-33-31(30)37)27-9-13-35(14-10-27)21-25-2-1-3-26(20-25)22-36-16-18-40-19-17-36;1-20-16-25(17-21(2)33(20)19-22-6-4-3-5-7-22)26-12-14-30-28-27(26)13-15-32(28)18-23-8-10-24(11-9-23)29(34)31-35;32-25(29-33)20-4-2-18(3-5-20)16-31-15-9-22-21(6-12-28-24(22)31)19-7-13-30(14-8-19)17-23-26-10-1-11-27-23;1-24(2,30)16-27-12-9-18(10-13-27)21-8-7-19-11-14-28(22(19)25-21)15-17-3-5-20(6-4-17)23(29)26-31/h2-10,13-14,17,28,41H,11-12,15-16,18-24H2,1H3,(H,35,40);2-9,12-13,16,21,28,41H,10-11,14-15,17-20,22-24H2,1H3,(H,35,40);2-10,13-14,17,25,40H,11-12,15-16,18-23H2,1H3,(H,34,39);1-9,12-13,16,27,39H,10-11,14-15,17-23H2,(H,34,38);1-8,11-12,15,20,27,39H,9-10,13-14,16-19,21-23H2,(H,34,38);3-15,20-21,25,35H,16-19H2,1-2H3,(H,31,34);1-6,9-12,15,19,33H,7-8,13-14,16-17H2,(H,29,32);3-8,11,14,18,30-31H,9-10,12-13,15-16H2,1-2H3,(H,26,29)/t;;;;;20-,21+,25?;;.
What are the key properties of 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 4057.15 g/mol, XLogP of 33.71, 57 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 158439733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).