1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine

C13H19F2N5 — CID 166104687

IUPAC1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCCN(CC(C)C)c1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C13H19F2N5/c1-4-19(7-9(2)3)12-6-16-10-5-17-20(8-11(14)15)13(10)18-12/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyBSMMHFJDMNXOAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine

1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 166104687) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID166104687
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCCN(CC(C)C)c1cnc2cnn(CC(F)F)c2n1
InChIInChI=1S/C13H19F2N5/c1-4-19(7-9(2)3)12-6-16-10-5-17-20(8-11(14)15)13(10)18-12/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyBSMMHFJDMNXOAT-UHFFFAOYSA-N
XLogP2.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)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 11673316
CID 11673316
CID 59421494
CID 59421494
CID 85468857
CID 85468857
CID 162669140
CID 162669140
CID 58611206
CID 58611206
CID 91447993
CID 91447993
CID 176142004
CID 176142004
CID 176142019
CID 176142019
CID 176142026
CID 176142026
CID 301595
CID 301595
CID 10844724
CID 10844724
CID 294606
CID 294606

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine (CID 166104687) is 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine is CCN(CC(C)C)c1cnc2cnn(CC(F)F)c2n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BSMMHFJDMNXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-4-19(7-9(2)3)12-6-16-10-5-17-20(8-11(14)15)13(10)18-12/h5-6,9,11H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine?
1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 283.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 166104687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).