2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide

C21H21N5O2 — CID 20948279

IUPAC2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C21H21N5O2/c1-14-11-15(2)22-20-19(14)21(25-9-4-5-10-25)24-26(20)13-18(27)23-16-7-6-8-17(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyYZDJFOYWCIOCCJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.49
Rot. Bonds5

About 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide

2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 20948279) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID20948279
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1
InChIInChI=1S/C21H21N5O2/c1-14-11-15(2)22-20-19(14)21(25-9-4-5-10-25)24-26(20)13-18(27)23-16-7-6-8-17(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyYZDJFOYWCIOCCJ-UHFFFAOYSA-N
XLogP3.49
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)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

N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 20948383
N-(3-methoxyphenyl)-2-(7-methyl-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 53156563
2-[5-(3,4-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 53201327
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 19517730
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 19503823
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 53201380
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide (CID 20948279) is 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1.
What is the InChIKey of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YZDJFOYWCIOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-11-15(2)22-20-19(14)21(25-9-4-5-10-25)24-26(20)13-18(27)23-16-7-6-8-17(12-16)28-3/h4-12H,13H2,1-3H3,(H,23,27).
What are the key properties of 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 20948279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).