3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine

C14H6F6N6 — CID 122654769

IUPAC3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cnc4[nH]ncc4c3)c2n1
InChIInChI=1S/C14H6F6N6/c15-13(16,17)9-2-1-8-11(24-9)26(12(23-8)14(18,19)20)7-3-6-4-22-25-10(6)21-5-7/h1-5H,(H,21,22,25)
InChIKeyOCBIVOOBWGXJTQ-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.73
Rot. Bonds1

About 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine

3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654769) has the molecular formula C14H6F6N6 and a molecular weight of 372.23 g/mol. Its IUPAC name is 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654769
Molecular FormulaC14H6F6N6
Molecular Weight372.23 g/mol
Exact Mass372.06
IUPAC Name3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cnc4[nH]ncc4c3)c2n1
InChIInChI=1S/C14H6F6N6/c15-13(16,17)9-2-1-8-11(24-9)26(12(23-8)14(18,19)20)7-3-6-4-22-25-10(6)21-5-7/h1-5H,(H,21,22,25)
InChIKeyOCBIVOOBWGXJTQ-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654769) is 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cnc4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is OCBIVOOBWGXJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N6/c15-13(16,17)9-2-1-8-11(24-9)26(12(23-8)14(18,19)20)7-3-6-4-22-25-10(6)21-5-7/h1-5H,(H,21,22,25).
What are the key properties of 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 372.23 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).