6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C17H11F3N4O — CID 9459669

IUPAC6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)13-8-14(15-2-1-7-25-15)23-16-12(13)9-22-24(16)10-11-3-5-21-6-4-11/h1-9H,10H2
InChIKeyAUKMTZWATWCIPP-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.15
Rot. Bonds3

About 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 9459669) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID9459669
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C17H11F3N4O/c18-17(19,20)13-8-14(15-2-1-7-25-15)23-16-12(13)9-22-24(16)10-11-3-5-21-6-4-11/h1-9H,10H2
InChIKeyAUKMTZWATWCIPP-UHFFFAOYSA-N
XLogP4.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 9459669) is 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2ccco2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is AUKMTZWATWCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-17(19,20)13-8-14(15-2-1-7-25-15)23-16-12(13)9-22-24(16)10-11-3-5-21-6-4-11/h1-9H,10H2.
What are the key properties of 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 344.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 9459669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).