1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

C272H285F3N36O25 — CID 159722338

IUPAC1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCC(C)(O)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.COc1cccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)c1.Cc1nc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)no1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(C(=O)c5cccc(F)c5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(F)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5F)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccn5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccnc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccncc5)CC4)cnc32)cc1
InChIInChI=1S/2C29H31N3O3.C28H26FN3O3.2C28H28FN3O2.3C27H28N4O2.C25H27N5O3.C24H30N4O3/c1-35-27-8-4-21(5-9-27)18-31-13-10-23(11-14-31)26-16-25-12-15-32(29(25)30-17-26)19-22-2-6-24(7-3-22)28(34)20-33;1-35-27-4-2-3-22(15-27)18-31-12-9-23(10-13-31)26-16-25-11-14-32(29(25)30-17-26)19-21-5-7-24(8-6-21)28(34)20-33;29-25-3-1-2-23(15-25)28(35)31-11-8-20(9-12-31)24-14-22-10-13-32(27(22)30-16-24)17-19-4-6-21(7-5-19)26(34)18-33;29-26-7-3-20(4-8-26)17-31-12-9-22(10-13-31)25-15-24-11-14-32(28(24)30-16-25)18-21-1-5-23(6-2-21)27(34)19-33;29-26-4-2-1-3-24(26)18-31-12-9-21(10-13-31)25-15-23-11-14-32(28(23)30-16-25)17-20-5-7-22(8-6-20)27(34)19-33;32-19-26(33)23-3-1-20(2-4-23)18-31-14-9-24-15-25(16-29-27(24)31)22-7-12-30(13-8-22)17-21-5-10-28-11-6-21;32-19-26(33)23-5-3-20(4-6-23)18-31-13-9-24-14-25(16-29-27(24)31)22-7-11-30(12-8-22)17-21-2-1-10-28-15-21;32-19-26(33)22-6-4-20(5-7-22)17-31-14-10-23-15-24(16-29-27(23)31)21-8-12-30(13-9-21)18-25-3-1-2-11-28-25;1-17-27-24(28-33-17)15-29-9-6-19(7-10-29)22-12-21-8-11-30(25(21)26-13-22)14-18-2-4-20(5-3-18)23(32)16-31;1-24(2,30)16-27-12-8-18(9-13-27)20-7-11-25-22-21(20)10-14-28(22)15-17-3-5-19(6-4-17)23(29)26-31/h2-9,12,15-17,23,33H,10-11,13-14,18-20H2,1H3;2-8,11,14-17,23,33H,9-10,12-13,18-20H2,1H3;1-7,10,13-16,20,33H,8-9,11-12,17-18H2;1-8,11,14-16,22,33H,9-10,12-13,17-19H2;1-8,11,14-16,21,33H,9-10,12-13,17-19H2;1-6,9-11,14-16,22,32H,7-8,12-13,17-19H2;1-6,9-10,13-16,22,32H,7-8,11-12,17-19H2;1-7,10-11,14-16,21,32H,8-9,12-13,17-19H2;2-5,8,11-13,19,31H,6-7,9-10,14-16H2,1H3;3-7,10-11,14,18,30-31H,8-9,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeyNAESHLUERHKMRC-UHFFFAOYSA-N
MW4515.49 g/mol
LogP41.86
Rot. Bonds70

About 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (PubChem CID 159722338) has the molecular formula C272H285F3N36O25 and a molecular weight of 4515.49 g/mol. Its IUPAC name is 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
PubChem CID159722338
Molecular FormulaC272H285F3N36O25
Molecular Weight4515.49 g/mol
Exact Mass4512.21
IUPAC Name1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESCC(C)(O)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.COc1cccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)c1.Cc1nc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)no1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(C(=O)c5cccc(F)c5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(F)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5F)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccn5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccnc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccncc5)CC4)cnc32)cc1
InChIInChI=1S/2C29H31N3O3.C28H26FN3O3.2C28H28FN3O2.3C27H28N4O2.C25H27N5O3.C24H30N4O3/c1-35-27-8-4-21(5-9-27)18-31-13-10-23(11-14-31)26-16-25-12-15-32(29(25)30-17-26)19-22-2-6-24(7-3-22)28(34)20-33;1-35-27-4-2-3-22(15-27)18-31-12-9-23(10-13-31)26-16-25-11-14-32(29(25)30-17-26)19-21-5-7-24(8-6-21)28(34)20-33;29-25-3-1-2-23(15-25)28(35)31-11-8-20(9-12-31)24-14-22-10-13-32(27(22)30-16-24)17-19-4-6-21(7-5-19)26(34)18-33;29-26-7-3-20(4-8-26)17-31-12-9-22(10-13-31)25-15-24-11-14-32(28(24)30-16-25)18-21-1-5-23(6-2-21)27(34)19-33;29-26-4-2-1-3-24(26)18-31-12-9-21(10-13-31)25-15-23-11-14-32(28(23)30-16-25)17-20-5-7-22(8-6-20)27(34)19-33;32-19-26(33)23-3-1-20(2-4-23)18-31-14-9-24-15-25(16-29-27(24)31)22-7-12-30(13-8-22)17-21-5-10-28-11-6-21;32-19-26(33)23-5-3-20(4-6-23)18-31-13-9-24-14-25(16-29-27(24)31)22-7-11-30(12-8-22)17-21-2-1-10-28-15-21;32-19-26(33)22-6-4-20(5-7-22)17-31-14-10-23-15-24(16-29-27(23)31)21-8-12-30(13-9-21)18-25-3-1-2-11-28-25;1-17-27-24(28-33-17)15-29-9-6-19(7-10-29)22-12-21-8-11-30(25(21)26-13-22)14-18-2-4-20(5-3-18)23(32)16-31;1-24(2,30)16-27-12-8-18(9-13-27)20-7-11-25-22-21(20)10-14-28(22)15-17-3-5-19(6-4-17)23(29)26-31/h2-9,12,15-17,23,33H,10-11,13-14,18-20H2,1H3;2-8,11,14-17,23,33H,9-10,12-13,18-20H2,1H3;1-7,10,13-16,20,33H,8-9,11-12,17-18H2;1-8,11,14-16,22,33H,9-10,12-13,17-19H2;1-8,11,14-16,21,33H,9-10,12-13,17-19H2;1-6,9-11,14-16,22,32H,7-8,12-13,17-19H2;1-6,9-10,13-16,22,32H,7-8,11-12,17-19H2;1-7,10-11,14-16,21,32H,8-9,12-13,17-19H2;2-5,8,11-13,19,31H,6-7,9-10,14-16H2,1H3;3-7,10-11,14,18,30-31H,8-9,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeyNAESHLUERHKMRC-UHFFFAOYSA-N
XLogP41.86
TPSA728.98 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds70
Heavy Atoms336
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004515.49
LogP ≤ 541.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-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-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (CID 159722338) is 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is CC(C)(O)CN1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.COc1ccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)cc1.COc1cccc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)c1.Cc1nc(CN2CCC(c3cnc4c(ccn4Cc4ccc(C(=O)CO)cc4)c3)CC2)no1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(C(=O)c5cccc(F)c5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccc(F)cc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccc5F)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccccn5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5cccnc5)CC4)cnc32)cc1.O=C(CO)c1ccc(Cn2ccc3cc(C4CCN(Cc5ccncc5)CC4)cnc32)cc1.
What is the InChIKey of 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The InChIKey is NAESHLUERHKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N3O3.C28H26FN3O3.2C28H28FN3O2.3C27H28N4O2.C25H27N5O3.C24H30N4O3/c1-35-27-8-4-21(5-9-27)18-31-13-10-23(11-14-31)26-16-25-12-15-32(29(25)30-17-26)19-22-2-6-24(7-3-22)28(34)20-33;1-35-27-4-2-3-22(15-27)18-31-12-9-23(10-13-31)26-16-25-11-14-32(29(25)30-17-26)19-21-5-7-24(8-6-21)28(34)20-33;29-25-3-1-2-23(15-25)28(35)31-11-8-20(9-12-31)24-14-22-10-13-32(27(22)30-16-24)17-19-4-6-21(7-5-19)26(34)18-33;29-26-7-3-20(4-8-26)17-31-12-9-22(10-13-31)25-15-24-11-14-32(28(24)30-16-25)18-21-1-5-23(6-2-21)27(34)19-33;29-26-4-2-1-3-24(26)18-31-12-9-21(10-13-31)25-15-23-11-14-32(28(23)30-16-25)17-20-5-7-22(8-6-20)27(34)19-33;32-19-26(33)23-3-1-20(2-4-23)18-31-14-9-24-15-25(16-29-27(24)31)22-7-12-30(13-8-22)17-21-5-10-28-11-6-21;32-19-26(33)23-5-3-20(4-6-23)18-31-13-9-24-14-25(16-29-27(24)31)22-7-11-30(12-8-22)17-21-2-1-10-28-15-21;32-19-26(33)22-6-4-20(5-7-22)17-31-14-10-23-15-24(16-29-27(23)31)21-8-12-30(13-9-21)18-25-3-1-2-11-28-25;1-17-27-24(28-33-17)15-29-9-6-19(7-10-29)22-12-21-8-11-30(25(21)26-13-22)14-18-2-4-20(5-3-18)23(32)16-31;1-24(2,30)16-27-12-8-18(9-13-27)20-7-11-25-22-21(20)10-14-28(22)15-17-3-5-19(6-4-17)23(29)26-31/h2-9,12,15-17,23,33H,10-11,13-14,18-20H2,1H3;2-8,11,14-17,23,33H,9-10,12-13,18-20H2,1H3;1-7,10,13-16,20,33H,8-9,11-12,17-18H2;1-8,11,14-16,22,33H,9-10,12-13,17-19H2;1-8,11,14-16,21,33H,9-10,12-13,17-19H2;1-6,9-11,14-16,22,32H,7-8,12-13,17-19H2;1-6,9-10,13-16,22,32H,7-8,11-12,17-19H2;1-7,10-11,14-16,21,32H,8-9,12-13,17-19H2;2-5,8,11-13,19,31H,6-7,9-10,14-16H2,1H3;3-7,10-11,14,18,30-31H,8-9,12-13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone has a molecular weight of 4515.49 g/mol, XLogP of 41.86, 70 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]-2-hydroxyethanone;N-hydroxy-4-[[4-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide;2-hydroxy-1-[4-[[5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 159722338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).