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

C14H12F3N3S — CID 29091032

IUPAC6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)s1
InChIInChI=1S/C14H12F3N3S/c1-3-8-4-5-12(21-8)11-6-10(14(15,16)17)9-7-18-20(2)13(9)19-11/h4-7H,3H2,1-2H3
InChIKeyNMWPVTADBHMIKF-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.28
Rot. Bonds2

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

6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29091032) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29091032
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)s1
InChIInChI=1S/C14H12F3N3S/c1-3-8-4-5-12(21-8)11-6-10(14(15,16)17)9-7-18-20(2)13(9)19-11/h4-7H,3H2,1-2H3
InChIKeyNMWPVTADBHMIKF-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091132
4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135636232
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581
3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096293
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497851
ethyl 4-[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 17021526
6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090990
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322964
5-(5-ethylthiophen-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17021781
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5241732
3-[5-(3-fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 68973247
N-[(4-methoxyphenyl)methyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802696

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29091032) is 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCc1ccc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)s1.
What is the InChIKey of 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is NMWPVTADBHMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-3-8-4-5-12(21-8)11-6-10(14(15,16)17)9-7-18-20(2)13(9)19-11/h4-7H,3H2,1-2H3.
What are the key properties of 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 311.33 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethylthiophen-2-yl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29091032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).