4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

C247H266F6N36O18 — CID 157107731

IUPAC4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCC(C)(C)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1CC(C)(C)F.Cc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6ccnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6cnnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(F)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccccc5F)CC4)ccnc32)cc1
InChIInChI=1S/C31H31N5O2.C30H30N6O2.C29H28F3N3O2.C29H31N3O2.2C27H27FN4O2.C26H33FN4O2.C25H32N4O2.C23H27N3O2/c37-21-30(38)26-5-1-24(2-6-26)20-35-15-11-27-17-28(18-33-31(27)35)25-9-13-34(14-10-25)19-23-3-7-29(8-4-23)36-16-12-32-22-36;37-19-29(38)25-5-1-23(2-6-25)18-35-14-11-26-15-27(16-31-30(26)35)24-9-12-34(13-10-24)17-22-3-7-28(8-4-22)36-20-32-33-21-36;30-29(31,32)26-3-1-2-21(14-26)17-34-11-8-22(9-12-34)25-15-24-10-13-35(28(24)33-16-25)18-20-4-6-23(7-5-20)27(37)19-36;1-21-2-4-22(5-3-21)18-31-13-10-24(11-14-31)27-16-26-12-15-32(29(26)30-17-27)19-23-6-8-25(9-7-23)28(34)20-33;28-23-3-1-2-20(16-23)17-31-13-9-21(10-14-31)24-8-12-29-26-25(24)11-15-32(26)18-19-4-6-22(7-5-19)27(33)30-34;28-25-4-2-1-3-22(25)18-31-14-10-20(11-15-31)23-9-13-29-26-24(23)12-16-32(26)17-19-5-7-21(8-6-19)27(33)30-34;1-18-13-30(14-19(2)31(18)17-26(3,4)27)23-11-22-9-10-29(25(22)28-12-23)15-20-5-7-21(8-6-20)24(33)16-32;1-25(2,3)17-28-13-9-19(10-14-28)21-8-12-26-23-22(21)11-15-29(23)16-18-4-6-20(7-5-18)24(30)27-31;1-2-25-10-7-18(8-11-25)21-13-20-9-12-26(23(20)24-14-21)15-17-3-5-19(6-4-17)22(28)16-27/h1-8,11-12,15-18,22,25,37H,9-10,13-14,19-21H2;1-8,11,14-16,20-21,24,37H,9-10,12-13,17-19H2;1-7,10,13-16,22,36H,8-9,11-12,17-19H2;2-9,12,15-17,24,33H,10-11,13-14,18-20H2,1H3;1-8,11-12,15-16,21,34H,9-10,13-14,17-18H2,(H,30,33);1-9,12-13,16,20,34H,10-11,14-15,17-18H2,(H,30,33);5-12,18-19,32H,13-17H2,1-4H3;4-8,11-12,15,19,31H,9-10,13-14,16-17H2,1-3H3,(H,27,30);3-6,9,12-14,18,27H,2,7-8,10-11,15-16H2,1H3/t;;;;;;18-,19+;;
InChIKeyAGMLUOAGFUSTDL-FBGKEEKFSA-N
MW4141.07 g/mol
LogP40.89
Rot. Bonds60

About 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (PubChem CID 157107731) has the molecular formula C247H266F6N36O18 and a molecular weight of 4141.07 g/mol. Its IUPAC name is 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
PubChem CID157107731
Molecular FormulaC247H266F6N36O18
Molecular Weight4141.07 g/mol
Exact Mass4138.09
IUPAC Name4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCC(C)(C)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1CC(C)(C)F.Cc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6ccnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6cnnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(F)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccccc5F)CC4)ccnc32)cc1
InChIInChI=1S/C31H31N5O2.C30H30N6O2.C29H28F3N3O2.C29H31N3O2.2C27H27FN4O2.C26H33FN4O2.C25H32N4O2.C23H27N3O2/c37-21-30(38)26-5-1-24(2-6-26)20-35-15-11-27-17-28(18-33-31(27)35)25-9-13-34(14-10-25)19-23-3-7-29(8-4-23)36-16-12-32-22-36;37-19-29(38)25-5-1-23(2-6-25)18-35-14-11-26-15-27(16-31-30(26)35)24-9-12-34(13-10-24)17-22-3-7-28(8-4-22)36-20-32-33-21-36;30-29(31,32)26-3-1-2-21(14-26)17-34-11-8-22(9-12-34)25-15-24-10-13-35(28(24)33-16-25)18-20-4-6-23(7-5-20)27(37)19-36;1-21-2-4-22(5-3-21)18-31-13-10-24(11-14-31)27-16-26-12-15-32(29(26)30-17-27)19-23-6-8-25(9-7-23)28(34)20-33;28-23-3-1-2-20(16-23)17-31-13-9-21(10-14-31)24-8-12-29-26-25(24)11-15-32(26)18-19-4-6-22(7-5-19)27(33)30-34;28-25-4-2-1-3-22(25)18-31-14-10-20(11-15-31)23-9-13-29-26-24(23)12-16-32(26)17-19-5-7-21(8-6-19)27(33)30-34;1-18-13-30(14-19(2)31(18)17-26(3,4)27)23-11-22-9-10-29(25(22)28-12-23)15-20-5-7-21(8-6-20)24(33)16-32;1-25(2,3)17-28-13-9-19(10-14-28)21-8-12-26-23-22(21)11-15-29(23)16-18-4-6-20(7-5-18)24(30)27-31;1-2-25-10-7-18(8-11-25)21-13-20-9-12-26(23(20)24-14-21)15-17-3-5-19(6-4-17)22(28)16-27/h1-8,11-12,15-18,22,25,37H,9-10,13-14,19-21H2;1-8,11,14-16,20-21,24,37H,9-10,12-13,17-19H2;1-7,10,13-16,22,36H,8-9,11-12,17-19H2;2-9,12,15-17,24,33H,10-11,13-14,18-20H2,1H3;1-8,11-12,15-16,21,34H,9-10,13-14,17-18H2,(H,30,33);1-9,12-13,16,20,34H,10-11,14-15,17-18H2,(H,30,33);5-12,18-19,32H,13-17H2,1-4H3;4-8,11-12,15,19,31H,9-10,13-14,16-17H2,1-3H3,(H,27,30);3-6,9,12-14,18,27H,2,7-8,10-11,15-16H2,1H3/t;;;;;;18-,19+;;
InChIKeyAGMLUOAGFUSTDL-FBGKEEKFSA-N
XLogP40.89
TPSA613.10 Ų
H-Bond Donors12
H-Bond Acceptors51
Rotatable Bonds60
Heavy Atoms307
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004141.07
LogP ≤ 540.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1051

Analyze 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (CID 157107731) is 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is CC(C)(C)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.CCN1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)CC1.C[C@@H]1CN(c2cnc3c(ccn3Cc3ccc(C(=O)CO)cc3)c2)C[C@H](C)N1CC(C)(C)F.Cc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6ccnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(-n6cnnc6)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5cccc(F)c5)CC4)ccnc32)cc1.O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccccc5F)CC4)ccnc32)cc1.
What is the InChIKey of 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The InChIKey is AGMLUOAGFUSTDL-FBGKEEKFSA-N. The full InChI is InChI=1S/C31H31N5O2.C30H30N6O2.C29H28F3N3O2.C29H31N3O2.2C27H27FN4O2.C26H33FN4O2.C25H32N4O2.C23H27N3O2/c37-21-30(38)26-5-1-24(2-6-26)20-35-15-11-27-17-28(18-33-31(27)35)25-9-13-34(14-10-25)19-23-3-7-29(8-4-23)36-16-12-32-22-36;37-19-29(38)25-5-1-23(2-6-25)18-35-14-11-26-15-27(16-31-30(26)35)24-9-12-34(13-10-24)17-22-3-7-28(8-4-22)36-20-32-33-21-36;30-29(31,32)26-3-1-2-21(14-26)17-34-11-8-22(9-12-34)25-15-24-10-13-35(28(24)33-16-25)18-20-4-6-23(7-5-20)27(37)19-36;1-21-2-4-22(5-3-21)18-31-13-10-24(11-14-31)27-16-26-12-15-32(29(26)30-17-27)19-23-6-8-25(9-7-23)28(34)20-33;28-23-3-1-2-20(16-23)17-31-13-9-21(10-14-31)24-8-12-29-26-25(24)11-15-32(26)18-19-4-6-22(7-5-19)27(33)30-34;28-25-4-2-1-3-22(25)18-31-14-10-20(11-15-31)23-9-13-29-26-24(23)12-16-32(26)17-19-5-7-21(8-6-19)27(33)30-34;1-18-13-30(14-19(2)31(18)17-26(3,4)27)23-11-22-9-10-29(25(22)28-12-23)15-20-5-7-21(8-6-20)24(33)16-32;1-25(2,3)17-28-13-9-19(10-14-28)21-8-12-26-23-22(21)11-15-29(23)16-18-4-6-20(7-5-18)24(30)27-31;1-2-25-10-7-18(8-11-25)21-13-20-9-12-26(23(20)24-14-21)15-17-3-5-19(6-4-17)22(28)16-27/h1-8,11-12,15-18,22,25,37H,9-10,13-14,19-21H2;1-8,11,14-16,20-21,24,37H,9-10,12-13,17-19H2;1-7,10,13-16,22,36H,8-9,11-12,17-19H2;2-9,12,15-17,24,33H,10-11,13-14,18-20H2,1H3;1-8,11-12,15-16,21,34H,9-10,13-14,17-18H2,(H,30,33);1-9,12-13,16,20,34H,10-11,14-15,17-18H2,(H,30,33);5-12,18-19,32H,13-17H2,1-4H3;4-8,11-12,15,19,31H,9-10,13-14,16-17H2,1-3H3,(H,27,30);3-6,9,12-14,18,27H,2,7-8,10-11,15-16H2,1H3/t;;;;;;18-,19+;;.
What are the key properties of 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone has a molecular weight of 4141.07 g/mol, XLogP of 40.89, 60 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;1-[4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[(3S,5R)-4-(2-fluoro-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;4-[[4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide;2-hydroxy-1-[4-[[5-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 157107731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).