1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H16F3N3S — CID 19497817

IUPAC1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)s1
InChIInChI=1S/C20H16F3N3S/c1-12-8-9-17(27-12)16-10-15(20(21,22)23)18-13(2)25-26(19(18)24-16)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFFUQOIJCOIMFBX-UHFFFAOYSA-N
MW387.43 g/mol
LogP5.84
Rot. Bonds3

About 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497817) has the molecular formula C20H16F3N3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497817
Molecular FormulaC20H16F3N3S
Molecular Weight387.43 g/mol
Exact Mass387.10
IUPAC Name1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)s1
InChIInChI=1S/C20H16F3N3S/c1-12-8-9-17(27-12)16-10-15(20(21,22)23)18-13(2)25-26(19(18)24-16)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFFUQOIJCOIMFBX-UHFFFAOYSA-N
XLogP5.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6-(5-chlorothiophen-2-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497818
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497851
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179
1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497836
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091271
6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091523
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 2366722
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091183
1-[(4-chlorophenyl)methyl]-6-(1-ethyl-5-methylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096413
ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497203
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497817) is 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccccc4)c3n2)s1.
What is the InChIKey of 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is FFUQOIJCOIMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3S/c1-12-8-9-17(27-12)16-10-15(20(21,22)23)18-13(2)25-26(19(18)24-16)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 387.43 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-6-(5-methylthiophen-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).