N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine

C15H9F3N6 — CID 134191663

IUPACN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine
SMILESFC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C15H9F3N6/c16-15(17,18)12-10-2-1-9(7-8(10)3-4-20-12)22-14-11-13(23-24-14)21-6-5-19-11/h1-7H,(H2,21,22,23,24)
InChIKeyVJFBADDGNMFOAG-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.66
Rot. Bonds2

About N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine

N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine (PubChem CID 134191663) has the molecular formula C15H9F3N6 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine
PubChem CID134191663
Molecular FormulaC15H9F3N6
Molecular Weight330.27 g/mol
Exact Mass330.08
IUPAC NameN-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine
SMILESFC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C15H9F3N6/c16-15(17,18)12-10-2-1-9(7-8(10)3-4-20-12)22-14-11-13(23-24-14)21-6-5-19-11/h1-7H,(H2,21,22,23,24)
InChIKeyVJFBADDGNMFOAG-UHFFFAOYSA-N
XLogP3.66
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine?
The IUPAC name of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine (CID 134191663) is N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine.
What is the SMILES notation for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine?
The canonical SMILES for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine is FC(F)(F)c1nccc2cc(Nc3[nH]nc4nccnc34)ccc12.
What is the InChIKey of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine?
The InChIKey is VJFBADDGNMFOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6/c16-15(17,18)12-10-2-1-9(7-8(10)3-4-20-12)22-14-11-13(23-24-14)21-6-5-19-11/h1-7H,(H2,21,22,23,24).
What are the key properties of N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine?
N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine has a molecular weight of 330.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine is sourced from PubChem (CID 134191663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).