1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone

C18H20ClN7O — CID 42667813

IUPAC1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C18H20ClN7O/c1-11(27)25-7-9-26(10-8-25)18-21-15(12-5-3-4-6-13(12)19)14-16(20)24(2)23-17(14)22-18/h3-6H,7-10,20H2,1-2H3
InChIKeyHAFROUUVEWBFQW-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.93
Rot. Bonds2

About 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone

1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone (PubChem CID 42667813) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
PubChem CID42667813
Molecular FormulaC18H20ClN7O
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(C)nc3n2)CC1
InChIInChI=1S/C18H20ClN7O/c1-11(27)25-7-9-26(10-8-25)18-21-15(12-5-3-4-6-13(12)19)14-16(20)24(2)23-17(14)22-18/h3-6H,7-10,20H2,1-2H3
InChIKeyHAFROUUVEWBFQW-UHFFFAOYSA-N
XLogP1.93
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]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-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone (CID 42667813) is 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3c(N)n(C)nc3n2)CC1.
What is the InChIKey of 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is HAFROUUVEWBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-11(27)25-7-9-26(10-8-25)18-21-15(12-5-3-4-6-13(12)19)14-16(20)24(2)23-17(14)22-18/h3-6H,7-10,20H2,1-2H3.
What are the key properties of 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone?
1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 385.86 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-4-(2-chlorophenyl)-2-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42667813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).