4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C23H24ClN7O — CID 42668004

IUPAC4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccc(Cl)cc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1
InChIInChI=1S/C23H24ClN7O/c24-17-8-6-16(7-9-17)20-19-21(25)31(18-4-2-1-3-5-18)29-22(19)28-23(27-20)26-10-11-30-12-14-32-15-13-30/h1-9H,10-15,25H2,(H,26,28,29)
InChIKeyZNCOMOQHQWIEJJ-UHFFFAOYSA-N
MW449.95 g/mol
LogP3.46
Rot. Bonds6

About 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668004) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42668004
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC Name4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccc(Cl)cc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1
InChIInChI=1S/C23H24ClN7O/c24-17-8-6-16(7-9-17)20-19-21(25)31(18-4-2-1-3-5-18)29-22(19)28-23(27-20)26-10-11-30-12-14-32-15-13-30/h1-9H,10-15,25H2,(H,26,28,29)
InChIKeyZNCOMOQHQWIEJJ-UHFFFAOYSA-N
XLogP3.46
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669370
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808517
2-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807899
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668955
2-(4-chlorophenyl)-4-(4-fluorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807941
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667600
4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668656
2-benzyl-4-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668016
2-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808519
4-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669410
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668004) is 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3ccc(Cl)cc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is ZNCOMOQHQWIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O/c24-17-8-6-16(7-9-17)20-19-21(25)31(18-4-2-1-3-5-18)29-22(19)28-23(27-20)26-10-11-30-12-14-32-15-13-30/h1-9H,10-15,25H2,(H,26,28,29).
What are the key properties of 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 449.95 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).