4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

C19H17ClN6O — CID 5327838

IUPAC4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCOc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1
InChIInChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyKGHAUONMJSXUDW-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.37
Rot. Bonds6

About 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (PubChem CID 5327838) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
PubChem CID5327838
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCOc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1
InChIInChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyKGHAUONMJSXUDW-UHFFFAOYSA-N
XLogP4.37
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine 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 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (CID 5327838) is 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is COc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The InChIKey is KGHAUONMJSXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine has a molecular weight of 380.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 5327838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).