2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

C32H35N5O4 — CID 162170188

IUPAC2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1
InChIInChI=1S/C32H35N5O4/c38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h1-9,18-20,38H,10-17,21-23H2
InChIKeyYKDLPXRRSHUIJR-UHFFFAOYSA-N
MW553.66 g/mol
LogP3.05
Rot. Bonds8

About 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone

2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (PubChem CID 162170188) has the molecular formula C32H35N5O4 and a molecular weight of 553.66 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
PubChem CID162170188
Molecular FormulaC32H35N5O4
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1
InChIInChI=1S/C32H35N5O4/c38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h1-9,18-20,38H,10-17,21-23H2
InChIKeyYKDLPXRRSHUIJR-UHFFFAOYSA-N
XLogP3.05
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-[[4-[hydroxy-(hydroxyamino)methyl]phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]piperidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 129128675
2-hydroxy-1-[4-[[5-[(3S,5R)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone
CID 158152890
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 86935267
1-[4-[[(3S,5R)-4-[3-[(4-acetylpiperazin-1-yl)methyl]benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 158073855
(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
CID 19290845
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
4-[[5-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 118148289
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
1-[4-[[(3S,5R)-3,5-dimethyl-4-[3-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 148715636
(4-phenyl-1,4-diazepan-1-yl)-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 70775196
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone (CID 162170188) is 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is O=C(CO)c1ccc(Cn2ccc3cc(N4CCN(C(=O)c5cccc(CN6CCOCC6)c5)CC4)cnc32)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
The InChIKey is YKDLPXRRSHUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4/c38-23-30(39)26-6-4-24(5-7-26)22-37-9-8-27-19-29(20-33-31(27)37)35-10-12-36(13-11-35)32(40)28-3-1-2-25(18-28)21-34-14-16-41-17-15-34/h1-9,18-20,38H,10-17,21-23H2.
What are the key properties of 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone?
2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone has a molecular weight of 553.66 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[5-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 162170188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).