1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

C14H9F3N8 — CID 134517468

IUPAC1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nc(-c2nn(Cc3cncnc3)c3ncccc23)n[nH]1
InChIInChI=1S/C14H9F3N8/c15-14(16,17)13-21-11(22-23-13)10-9-2-1-3-20-12(9)25(24-10)6-8-4-18-7-19-5-8/h1-5,7H,6H2,(H,21,22,23)
InChIKeyRMKOEHBQABOHMA-UHFFFAOYSA-N
MW346.28 g/mol
LogP2.07
Rot. Bonds3

About 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 134517468) has the molecular formula C14H9F3N8 and a molecular weight of 346.28 g/mol. Its IUPAC name is 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID134517468
Molecular FormulaC14H9F3N8
Molecular Weight346.28 g/mol
Exact Mass346.09
IUPAC Name1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nc(-c2nn(Cc3cncnc3)c3ncccc23)n[nH]1
InChIInChI=1S/C14H9F3N8/c15-14(16,17)13-21-11(22-23-13)10-9-2-1-3-20-12(9)25(24-10)6-8-4-18-7-19-5-8/h1-5,7H,6H2,(H,21,22,23)
InChIKeyRMKOEHBQABOHMA-UHFFFAOYSA-N
XLogP2.07
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (CID 134517468) is 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is FC(F)(F)c1nc(-c2nn(Cc3cncnc3)c3ncccc23)n[nH]1.
What is the InChIKey of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is RMKOEHBQABOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N8/c15-14(16,17)13-21-11(22-23-13)10-9-2-1-3-20-12(9)25(24-10)6-8-4-18-7-19-5-8/h1-5,7H,6H2,(H,21,22,23).
What are the key properties of 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 346.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 134517468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).