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

C15H11F3N8 — CID 57396346

IUPAC1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESCc1ncc(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)cn1
InChIInChI=1S/C15H11F3N8/c1-8-20-5-9(6-21-8)7-26-13-10(3-2-4-19-13)11(25-26)12-22-14(24-23-12)15(16,17)18/h2-6H,7H2,1H3,(H,22,23,24)
InChIKeyQAXGZFQDGNOCEI-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.38
Rot. Bonds3

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

1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 57396346) has the molecular formula C15H11F3N8 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID57396346
Molecular FormulaC15H11F3N8
Molecular Weight360.30 g/mol
Exact Mass360.11
IUPAC Name1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESCc1ncc(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)cn1
InChIInChI=1S/C15H11F3N8/c1-8-20-5-9(6-21-8)7-26-13-10(3-2-4-19-13)11(25-26)12-22-14(24-23-12)15(16,17)18/h2-6H,7H2,1H3,(H,22,23,24)
InChIKeyQAXGZFQDGNOCEI-UHFFFAOYSA-N
XLogP2.38
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (CID 57396346) is 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is Cc1ncc(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)cn1.
What is the InChIKey of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is QAXGZFQDGNOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N8/c1-8-20-5-9(6-21-8)7-26-13-10(3-2-4-19-13)11(25-26)12-22-14(24-23-12)15(16,17)18/h2-6H,7H2,1H3,(H,22,23,24).
What are the key properties of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 360.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 57396346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).