1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone

C21H23N5O3 — CID 134801266

IUPAC1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(C(C)=O)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H23N5O3/c1-14(27)25-8-10-26(11-9-25)21(28)16-12-18(15-6-4-5-7-19(15)29-3)23-20-17(16)13-22-24(20)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZKNFUILNZGGXLL-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.95
Rot. Bonds3

About 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 134801266) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID134801266
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(C(C)=O)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H23N5O3/c1-14(27)25-8-10-26(11-9-25)21(28)16-12-18(15-6-4-5-7-19(15)29-3)23-20-17(16)13-22-24(20)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyZKNFUILNZGGXLL-UHFFFAOYSA-N
XLogP1.95
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone 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 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 134801266) is 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccccc1-c1cc(C(=O)N2CCN(C(C)=O)CC2)c2cnn(C)c2n1.
What is the InChIKey of 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ZKNFUILNZGGXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14(27)25-8-10-26(11-9-25)21(28)16-12-18(15-6-4-5-7-19(15)29-3)23-20-17(16)13-22-24(20)2/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 393.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134801266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).