1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

C16H13F2N7O — CID 168752074

IUPAC1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(Cc4ccccc4)c3n2)[nH]n1
InChIInChI=1S/C16H13F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-19-11-7-20-25(15(11)22-13)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H2,21,22,23,24)
InChIKeyGTQIRELMYAAQPJ-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.94
Rot. Bonds6

About 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine

1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752074) has the molecular formula C16H13F2N7O and a molecular weight of 357.32 g/mol. Its IUPAC name is 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752074
Molecular FormulaC16H13F2N7O
Molecular Weight357.32 g/mol
Exact Mass357.11
IUPAC Name1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(Cc4ccccc4)c3n2)[nH]n1
InChIInChI=1S/C16H13F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-19-11-7-20-25(15(11)22-13)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H2,21,22,23,24)
InChIKeyGTQIRELMYAAQPJ-UHFFFAOYSA-N
XLogP2.94
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 25115967
CID 25115967
CID 59627005
CID 59627005
CID 25094630
CID 25094630
CID 134326851
CID 134326851
CID 156431643
CID 156431643
CID 134809760
CID 134809760
CID 145966572
CID 145966572
CID 25115732
CID 25115732
CID 25116188
CID 25116188
CID 25116189
CID 25116189
CID 25116427
CID 25116427
CID 44608933
CID 44608933

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168752074) is 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(Cc4ccccc4)c3n2)[nH]n1.
What is the InChIKey of 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is GTQIRELMYAAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N7O/c17-16(18)26-14-6-12(23-24-14)21-13-8-19-11-7-20-25(15(11)22-13)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H2,21,22,23,24).
What are the key properties of 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine?
1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 357.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).