3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

C17H14N6 — CID 5327823

IUPAC3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESc1ccc(Nc2ncnc3n[nH]c(Nc4ccccc4)c23)cc1
InChIInChI=1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19,20,21,22,23)
InChIKeyIZWVMBDZDRQDDZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.84
Rot. Bonds4

About 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine

3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine (PubChem CID 5327823) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
PubChem CID5327823
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
SMILESc1ccc(Nc2ncnc3n[nH]c(Nc4ccccc4)c23)cc1
InChIInChI=1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19,20,21,22,23)
InChIKeyIZWVMBDZDRQDDZ-UHFFFAOYSA-N
XLogP3.84
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine (CID 5327823) is 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine is c1ccc(Nc2ncnc3n[nH]c(Nc4ccccc4)c23)cc1.
What is the InChIKey of 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
The InChIKey is IZWVMBDZDRQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19,20,21,22,23).
What are the key properties of 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine?
3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-diphenyl-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 5327823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).