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

C24H26ClN7O — CID 27477199

IUPACN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
SMILESCc1cc(NC(=O)CCC2CCCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClN7O/c1-16-12-21(29-22(33)11-10-17-6-3-2-4-7-17)32(30-16)24-20-14-28-31(23(20)26-15-27-24)19-9-5-8-18(25)13-19/h5,8-9,12-15,17H,2-4,6-7,10-11H2,1H3,(H,29,33)
InChIKeyVFEQCTYOJXJPOH-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.26
Rot. Bonds6

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

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide (PubChem CID 27477199) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
PubChem CID27477199
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
SMILESCc1cc(NC(=O)CCC2CCCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H26ClN7O/c1-16-12-21(29-22(33)11-10-17-6-3-2-4-7-17)32(30-16)24-20-14-28-31(23(20)26-15-27-24)19-9-5-8-18(25)13-19/h5,8-9,12-15,17H,2-4,6-7,10-11H2,1H3,(H,29,33)
InChIKeyVFEQCTYOJXJPOH-UHFFFAOYSA-N
XLogP5.26
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide 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-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide (CID 27477199) is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide is Cc1cc(NC(=O)CCC2CCCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide?
The InChIKey is VFEQCTYOJXJPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-16-12-21(29-22(33)11-10-17-6-3-2-4-7-17)32(30-16)24-20-14-28-31(23(20)26-15-27-24)19-9-5-8-18(25)13-19/h5,8-9,12-15,17H,2-4,6-7,10-11H2,1H3,(H,29,33).
What are the key properties of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide?
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide has a molecular weight of 463.97 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 27477199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).