2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C23H22N4O4S — CID 59824903

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1
InChIInChI=1S/C23H22N4O4S/c1-27(2)23(29)21(28)17-7-15(10-24-11-17)16-9-19-20(13-26-22(19)25-12-16)14-5-4-6-18(8-14)32(3,30)31/h4-13,21,28H,1-3H3,(H,25,26)
InChIKeyOJJUXDHWJNAXIY-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.82
Rot. Bonds5

About 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59824903) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID59824903
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1
InChIInChI=1S/C23H22N4O4S/c1-27(2)23(29)21(28)17-7-15(10-24-11-17)16-9-19-20(13-26-22(19)25-12-16)14-5-4-6-18(8-14)32(3,30)31/h4-13,21,28H,1-3H3,(H,25,26)
InChIKeyOJJUXDHWJNAXIY-UHFFFAOYSA-N
XLogP2.82
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide 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

2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
CID 59824883
2-hydroxy-N,N-dimethyl-2-[5-[3-(2-sulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59825089
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
[5-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanediol
CID 145491751
N-methyl-N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421455
4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 149269246
2-hydroxy-N-(3-hydroxypropyl)-2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylacetamide
CID 145491699
N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 135258327
(E)-N-[5-[3-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-(dimethylamino)but-2-enamide
CID 135237798
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
N-[4-fluoro-3-[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]pyridine-3-sulfonamide
CID 66647008
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59824903) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is OJJUXDHWJNAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-27(2)23(29)21(28)17-7-15(10-24-11-17)16-9-19-20(13-26-22(19)25-12-16)14-5-4-6-18(8-14)32(3,30)31/h4-13,21,28H,1-3H3,(H,25,26).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59824903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).