2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide

C19H15ClN6O2 — CID 143937639

IUPAC2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2Cl)nc1
InChIInChI=1S/C19H15ClN6O2/c1-12-6-7-16(21-8-12)25-17(27)10-28-19-13-9-24-26(18(13)22-11-23-19)15-5-3-2-4-14(15)20/h2-9,11H,10H2,1H3,(H,21,25,27)
InChIKeyABTAJJNPEPYAKG-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide

2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 143937639) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID143937639
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2Cl)nc1
InChIInChI=1S/C19H15ClN6O2/c1-12-6-7-16(21-8-12)25-17(27)10-28-19-13-9-24-26(18(13)22-11-23-19)15-5-3-2-4-14(15)20/h2-9,11H,10H2,1H3,(H,21,25,27)
InChIKeyABTAJJNPEPYAKG-UHFFFAOYSA-N
XLogP3.19
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide (CID 143937639) is 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2Cl)nc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is ABTAJJNPEPYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-12-6-7-16(21-8-12)25-17(27)10-28-19-13-9-24-26(18(13)22-11-23-19)15-5-3-2-4-14(15)20/h2-9,11H,10H2,1H3,(H,21,25,27).
What are the key properties of 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide?
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 394.82 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 143937639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).