N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide

C24H20ClN7O3 — CID 18570113

IUPACN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H20ClN7O3/c1-15-10-21(29-22(33)13-35-19-5-3-4-18(11-19)34-2)32(30-15)24-20-12-28-31(23(20)26-14-27-24)17-8-6-16(25)7-9-17/h3-12,14H,13H2,1-2H3,(H,29,33)
InChIKeyCOSVQAGFGUOXMS-UHFFFAOYSA-N
MW489.92 g/mol
LogP3.99
Rot. Bonds7

About N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide

N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 18570113) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
PubChem CID18570113
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC NameN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H20ClN7O3/c1-15-10-21(29-22(33)13-35-19-5-3-4-18(11-19)34-2)32(30-15)24-20-12-28-31(23(20)26-14-27-24)17-8-6-16(25)7-9-17/h3-12,14H,13H2,1-2H3,(H,29,33)
InChIKeyCOSVQAGFGUOXMS-UHFFFAOYSA-N
XLogP3.99
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)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-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 18570175
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]pentanamide
CID 18570076
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18570173
2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
CID 18570069
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
2-bromo-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242026
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 41242168
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 18570109
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570123

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide (CID 18570113) is N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is COSVQAGFGUOXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c1-15-10-21(29-22(33)13-35-19-5-3-4-18(11-19)34-2)32(30-15)24-20-12-28-31(23(20)26-14-27-24)17-8-6-16(25)7-9-17/h3-12,14H,13H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide?
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 489.92 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 18570113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).