N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide

C24H24N4O3 — CID 59824862

IUPACN-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide
SMILESCCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C24H24N4O3/c1-4-28(2)24(30)22(29)17-9-15(11-25-12-17)16-10-19-20(14-27-23(19)26-13-16)18-7-5-6-8-21(18)31-3/h5-14,22,29H,4H2,1-3H3,(H,26,27)
InChIKeyDYIGUWDXDBJEOH-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.81
Rot. Bonds6

About N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide

N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide (PubChem CID 59824862) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide
PubChem CID59824862
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide
SMILESCCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C24H24N4O3/c1-4-28(2)24(30)22(29)17-9-15(11-25-12-17)16-10-19-20(14-27-23(19)26-13-16)18-7-5-6-8-21(18)31-3/h5-14,22,29H,4H2,1-3H3,(H,26,27)
InChIKeyDYIGUWDXDBJEOH-UHFFFAOYSA-N
XLogP3.81
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide?
The IUPAC name of N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide (CID 59824862) is N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide is CCN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)c1.
What is the InChIKey of N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide?
The InChIKey is DYIGUWDXDBJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-28(2)24(30)22(29)17-9-15(11-25-12-17)16-10-19-20(14-27-23(19)26-13-16)18-7-5-6-8-21(18)31-3/h5-14,22,29H,4H2,1-3H3,(H,26,27).
What are the key properties of N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide?
N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide has a molecular weight of 416.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 59824862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).