3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C15H15ClN6O — CID 70974901

IUPAC3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc(N4CCOCC4)c(Cl)c3)c12
InChIInChI=1S/C15H15ClN6O/c16-10-7-9(1-2-11(10)22-3-5-23-6-4-22)13-12-14(17)18-8-19-15(12)21-20-13/h1-2,7-8H,3-6H2,(H3,17,18,19,20,21)
InChIKeyBAFJAMDENIFHLC-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.09
Rot. Bonds2

About 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70974901) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70974901
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc(N4CCOCC4)c(Cl)c3)c12
InChIInChI=1S/C15H15ClN6O/c16-10-7-9(1-2-11(10)22-3-5-23-6-4-22)13-12-14(17)18-8-19-15(12)21-20-13/h1-2,7-8H,3-6H2,(H3,17,18,19,20,21)
InChIKeyBAFJAMDENIFHLC-UHFFFAOYSA-N
XLogP2.09
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine 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 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 70974901) is 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3ccc(N4CCOCC4)c(Cl)c3)c12.
What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BAFJAMDENIFHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-10-7-9(1-2-11(10)22-3-5-23-6-4-22)13-12-14(17)18-8-19-15(12)21-20-13/h1-2,7-8H,3-6H2,(H3,17,18,19,20,21).
What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.78 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70974901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).