1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H18F3N5 — CID 19497840

IUPAC1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1
InChIInChI=1S/C20H18F3N5/c1-3-27-12-15(10-24-27)17-9-16(20(21,22)23)18-13(2)26-28(19(18)25-17)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyXWQCFNQGFKQFLE-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.69
Rot. Bonds4

About 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497840) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497840
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1
InChIInChI=1S/C20H18F3N5/c1-3-27-12-15(10-24-27)17-9-16(20(21,22)23)18-13(2)26-28(19(18)25-17)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3
InChIKeyXWQCFNQGFKQFLE-UHFFFAOYSA-N
XLogP4.69
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497840) is 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)cn1.
What is the InChIKey of 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is XWQCFNQGFKQFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c1-3-27-12-15(10-24-27)17-9-16(20(21,22)23)18-13(2)26-28(19(18)25-17)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 385.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(1-ethylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).