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

C15H9F3N4O — CID 134190026

IUPACN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)11-7-23-12-6-8(3-4-9(11)12)20-14-10-2-1-5-19-13(10)21-22-14/h1-7H,(H2,19,20,21,22)
InChIKeyPAAIPMMKHHHWDU-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.47
Rot. Bonds2

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

N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 134190026) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID134190026
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC NameN-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESFC(F)(F)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)11-7-23-12-6-8(3-4-9(11)12)20-14-10-2-1-5-19-13(10)21-22-14/h1-7H,(H2,19,20,21,22)
InChIKeyPAAIPMMKHHHWDU-UHFFFAOYSA-N
XLogP4.47
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 11952670
3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190209
3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190218
N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]-4-(trifluoromethyl)benzamide
CID 71575326
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190028
3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190171
US10030016, Example 301
CID 68161239
US11512087, Example 8
CID 134448458
3-Cyclopropyl-4-(Furan-2-Yl)-1h-Pyrazolo[3,4-B]pyridine
CID 71576789
4-(1-benzofuran-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 15604569
US9669028, 184 5-(furan-3-yl)-3-(2-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 66556608

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 134190026) is N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is FC(F)(F)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is PAAIPMMKHHHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)11-7-23-12-6-8(3-4-9(11)12)20-14-10-2-1-5-19-13(10)21-22-14/h1-7H,(H2,19,20,21,22).
What are the key properties of N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 318.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 134190026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).