4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

C15H13ClN8 — CID 57131361

IUPAC4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCN(c1ncc[nH]1)c1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12
InChIInChI=1S/C15H13ClN8/c1-24(15-17-5-6-18-15)14-11-12(19-8-20-13(11)22-23-14)21-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)(H2,19,20,21,22,23)
InChIKeyLBMKFRLVWLYADC-UHFFFAOYSA-N
MW340.78 g/mol
LogP3.24
Rot. Bonds4

About 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (PubChem CID 57131361) has the molecular formula C15H13ClN8 and a molecular weight of 340.78 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
PubChem CID57131361
Molecular FormulaC15H13ClN8
Molecular Weight340.78 g/mol
Exact Mass340.10
IUPAC Name4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCN(c1ncc[nH]1)c1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12
InChIInChI=1S/C15H13ClN8/c1-24(15-17-5-6-18-15)14-11-12(19-8-20-13(11)22-23-14)21-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)(H2,19,20,21,22,23)
InChIKeyLBMKFRLVWLYADC-UHFFFAOYSA-N
XLogP3.24
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (CID 57131361) is 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is CN(c1ncc[nH]1)c1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12.
What is the InChIKey of 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The InChIKey is LBMKFRLVWLYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN8/c1-24(15-17-5-6-18-15)14-11-12(19-8-20-13(11)22-23-14)21-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)(H2,19,20,21,22,23).
What are the key properties of 4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine has a molecular weight of 340.78 g/mol, XLogP of 3.24, 4 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-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 57131361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).