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

C14H8F3N5O — CID 134190021

IUPACN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C14H8F3N5O/c15-14(16,17)9-6-23-10-5-7(1-2-8(9)10)20-13-11-12(21-22-13)19-4-3-18-11/h1-6H,(H2,19,20,21,22)
InChIKeyWVLMCVPQSFVEDA-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.86
Rot. Bonds2

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

N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 134190021) has the molecular formula C14H8F3N5O and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID134190021
Molecular FormulaC14H8F3N5O
Molecular Weight319.25 g/mol
Exact Mass319.07
IUPAC NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3[nH]nc4nccnc34)ccc12
InChIInChI=1S/C14H8F3N5O/c15-14(16,17)9-6-23-10-5-7(1-2-8(9)10)20-13-11-12(21-22-13)19-4-3-18-11/h1-6H,(H2,19,20,21,22)
InChIKeyWVLMCVPQSFVEDA-UHFFFAOYSA-N
XLogP3.86
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
7-(furan-2-yl)-3-(1H-indazol-5-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874662
3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25221040
3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134189978
3-cyclobutyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134189979
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190027
3-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190146
3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190211
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955
(S)-3-(2-amino-3-phenylpropoxy)-N-ethyl-6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-2-amine
CID 46226135
US10227343, Example 29
CID 134197820
US11512087, Example 8
CID 134448458

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine (CID 134190021) is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine is FC(F)(F)c1coc2cc(Nc3[nH]nc4nccnc34)ccc12.
What is the InChIKey of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is WVLMCVPQSFVEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5O/c15-14(16,17)9-6-23-10-5-7(1-2-8(9)10)20-13-11-12(21-22-13)19-4-3-18-11/h1-6H,(H2,19,20,21,22).
What are the key properties of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine?
N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 319.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 134190021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).