4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C234H267F3N46O22 — CID 158285558

IUPAC4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(F)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(F)CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.Cc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.O=C(NO)c1ccc(Cn2ccc3c(N4CCN(Cc5ccccc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCOCC4)cnc32)cc1
InChIInChI=1S/C27H29N5O3.C27H29N5O2.C26H27N5O2.2C24H29FN4O2.C23H28FN5O2.C22H27N5O2.C21H25N5O2.C20H23N5O2.C20H21N3O3/c1-35-23-8-4-20(5-9-23)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-21-2-6-22(7-3-21)27(33)29-34;1-20-2-4-21(5-3-20)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-22-6-8-23(9-7-22)27(33)29-34;32-26(28-33)22-8-6-21(7-9-22)19-31-13-11-23-24(10-12-27-25(23)31)30-16-14-29(15-17-30)18-20-4-2-1-3-5-20;1-24(2,25)16-28-12-8-18(9-13-28)20-7-11-26-22-21(20)10-14-29(22)15-17-3-5-19(6-4-17)23(30)27-31;1-24(2,25)16-28-10-7-18(8-11-28)21-13-20-9-12-29(22(20)26-14-21)15-17-3-5-19(6-4-17)23(30)27-31;1-23(2,24)16-27-11-13-28(14-12-27)20-7-9-25-21-19(20)8-10-29(21)15-17-3-5-18(6-4-17)22(30)26-31;1-16(2)25-11-13-26(14-12-25)20-7-9-23-21-19(20)8-10-27(21)15-17-3-5-18(6-4-17)22(28)24-29;1-2-24-11-13-25(14-12-24)19-7-9-22-20-18(19)8-10-26(20)15-16-3-5-17(6-4-16)21(27)23-28;1-23-10-12-24(13-11-23)18-6-8-21-19-17(18)7-9-25(19)14-15-2-4-16(5-3-15)20(26)22-27;24-20(22-25)16-3-1-14(2-4-16)13-23-8-5-17-11-18(12-21-19(17)23)15-6-9-26-10-7-15/h2-13,34H,14-19H2,1H3,(H,29,33);2-13,34H,14-19H2,1H3,(H,29,33);1-13,33H,14-19H2,(H,28,32);3-7,10-11,14,18,31H,8-9,12-13,15-16H2,1-2H3,(H,27,30);3-6,9,12-14,18,31H,7-8,10-11,15-16H2,1-2H3,(H,27,30);3-10,31H,11-16H2,1-2H3,(H,26,30);3-10,16,29H,11-15H2,1-2H3,(H,24,28);3-10,28H,2,11-15H2,1H3,(H,23,27);2-9,27H,10-14H2,1H3,(H,22,26);1-5,8,11-12,15,25H,6-7,9-10,13H2,(H,22,24)
InChIKeyGKSUZSYDUTTXBI-UHFFFAOYSA-N
MW4133.00 g/mol
LogP32.36
Rot. Bonds55

About 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 158285558) has the molecular formula C234H267F3N46O22 and a molecular weight of 4133.00 g/mol. Its IUPAC name is 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID158285558
Molecular FormulaC234H267F3N46O22
Molecular Weight4133.00 g/mol
Exact Mass4130.11
IUPAC Name4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(F)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(F)CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.Cc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.O=C(NO)c1ccc(Cn2ccc3c(N4CCN(Cc5ccccc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCOCC4)cnc32)cc1
InChIInChI=1S/C27H29N5O3.C27H29N5O2.C26H27N5O2.2C24H29FN4O2.C23H28FN5O2.C22H27N5O2.C21H25N5O2.C20H23N5O2.C20H21N3O3/c1-35-23-8-4-20(5-9-23)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-21-2-6-22(7-3-21)27(33)29-34;1-20-2-4-21(5-3-20)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-22-6-8-23(9-7-22)27(33)29-34;32-26(28-33)22-8-6-21(7-9-22)19-31-13-11-23-24(10-12-27-25(23)31)30-16-14-29(15-17-30)18-20-4-2-1-3-5-20;1-24(2,25)16-28-12-8-18(9-13-28)20-7-11-26-22-21(20)10-14-29(22)15-17-3-5-19(6-4-17)23(30)27-31;1-24(2,25)16-28-10-7-18(8-11-28)21-13-20-9-12-29(22(20)26-14-21)15-17-3-5-19(6-4-17)23(30)27-31;1-23(2,24)16-27-11-13-28(14-12-27)20-7-9-25-21-19(20)8-10-29(21)15-17-3-5-18(6-4-17)22(30)26-31;1-16(2)25-11-13-26(14-12-25)20-7-9-23-21-19(20)8-10-27(21)15-17-3-5-18(6-4-17)22(28)24-29;1-2-24-11-13-25(14-12-24)19-7-9-22-20-18(19)8-10-26(20)15-16-3-5-17(6-4-16)21(27)23-28;1-23-10-12-24(13-11-23)18-6-8-21-19-17(18)7-9-25(19)14-15-2-4-16(5-3-15)20(26)22-27;24-20(22-25)16-3-1-14(2-4-16)13-23-8-5-17-11-18(12-21-19(17)23)15-6-9-26-10-7-15/h2-13,34H,14-19H2,1H3,(H,29,33);2-13,34H,14-19H2,1H3,(H,29,33);1-13,33H,14-19H2,(H,28,32);3-7,10-11,14,18,31H,8-9,12-13,15-16H2,1-2H3,(H,27,30);3-6,9,12-14,18,31H,7-8,10-11,15-16H2,1-2H3,(H,27,30);3-10,31H,11-16H2,1-2H3,(H,26,30);3-10,16,29H,11-15H2,1-2H3,(H,24,28);3-10,28H,2,11-15H2,1H3,(H,23,27);2-9,27H,10-14H2,1H3,(H,22,26);1-5,8,11-12,15,25H,6-7,9-10,13H2,(H,22,24)
InChIKeyGKSUZSYDUTTXBI-UHFFFAOYSA-N
XLogP32.36
TPSA741.80 Ų
H-Bond Donors20
H-Bond Acceptors58
Rotatable Bonds55
Heavy Atoms305
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004133.00
LogP ≤ 532.36
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-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-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 158285558) is 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is CC(C)(F)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)(F)CN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1.CC(C)(F)CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CC(C)N1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.Cc1ccc(CN2CCN(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1.O=C(NO)c1ccc(Cn2ccc3c(N4CCN(Cc5ccccc5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3cc(C4CCOCC4)cnc32)cc1.
What is the InChIKey of 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is GKSUZSYDUTTXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C27H29N5O2.C26H27N5O2.2C24H29FN4O2.C23H28FN5O2.C22H27N5O2.C21H25N5O2.C20H23N5O2.C20H21N3O3/c1-35-23-8-4-20(5-9-23)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-21-2-6-22(7-3-21)27(33)29-34;1-20-2-4-21(5-3-20)18-30-14-16-31(17-15-30)25-10-12-28-26-24(25)11-13-32(26)19-22-6-8-23(9-7-22)27(33)29-34;32-26(28-33)22-8-6-21(7-9-22)19-31-13-11-23-24(10-12-27-25(23)31)30-16-14-29(15-17-30)18-20-4-2-1-3-5-20;1-24(2,25)16-28-12-8-18(9-13-28)20-7-11-26-22-21(20)10-14-29(22)15-17-3-5-19(6-4-17)23(30)27-31;1-24(2,25)16-28-10-7-18(8-11-28)21-13-20-9-12-29(22(20)26-14-21)15-17-3-5-19(6-4-17)23(30)27-31;1-23(2,24)16-27-11-13-28(14-12-27)20-7-9-25-21-19(20)8-10-29(21)15-17-3-5-18(6-4-17)22(30)26-31;1-16(2)25-11-13-26(14-12-25)20-7-9-23-21-19(20)8-10-27(21)15-17-3-5-18(6-4-17)22(28)24-29;1-2-24-11-13-25(14-12-24)19-7-9-22-20-18(19)8-10-26(20)15-16-3-5-17(6-4-16)21(27)23-28;1-23-10-12-24(13-11-23)18-6-8-21-19-17(18)7-9-25(19)14-15-2-4-16(5-3-15)20(26)22-27;24-20(22-25)16-3-1-14(2-4-16)13-23-8-5-17-11-18(12-21-19(17)23)15-6-9-26-10-7-15/h2-13,34H,14-19H2,1H3,(H,29,33);2-13,34H,14-19H2,1H3,(H,29,33);1-13,33H,14-19H2,(H,28,32);3-7,10-11,14,18,31H,8-9,12-13,15-16H2,1-2H3,(H,27,30);3-6,9,12-14,18,31H,7-8,10-11,15-16H2,1-2H3,(H,27,30);3-10,31H,11-16H2,1-2H3,(H,26,30);3-10,16,29H,11-15H2,1-2H3,(H,24,28);3-10,28H,2,11-15H2,1H3,(H,23,27);2-9,27H,10-14H2,1H3,(H,22,26);1-5,8,11-12,15,25H,6-7,9-10,13H2,(H,22,24).
What are the key properties of 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 4133.00 g/mol, XLogP of 32.36, 55 rotatable bonds, 20 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-benzylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-(4-ethylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[5-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;N-hydroxy-4-[[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[5-(oxan-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;N-hydroxy-4-[[4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 158285558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).