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

C21H18F3N3OS — CID 29090860

IUPAC6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)s1
InChIInChI=1S/C21H18F3N3OS/c1-4-15-9-10-18(29-15)17-11-16(21(22,23)24)19-12(2)26-27(20(19)25-17)13-5-7-14(28-3)8-6-13/h5-11H,4H2,1-3H3
InChIKeyGGMPYCQFGGGTCB-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.05
Rot. Bonds4

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

6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090860) has the molecular formula C21H18F3N3OS and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090860
Molecular FormulaC21H18F3N3OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC Name6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)s1
InChIInChI=1S/C21H18F3N3OS/c1-4-15-9-10-18(29-15)17-11-16(21(22,23)24)19-12(2)26-27(20(19)25-17)13-5-7-14(28-3)8-6-13/h5-11H,4H2,1-3H3
InChIKeyGGMPYCQFGGGTCB-UHFFFAOYSA-N
XLogP6.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090860) is 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)s1.
What is the InChIKey of 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is GGMPYCQFGGGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3OS/c1-4-15-9-10-18(29-15)17-11-16(21(22,23)24)19-12(2)26-27(20(19)25-17)13-5-7-14(28-3)8-6-13/h5-11H,4H2,1-3H3.
What are the key properties of 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 417.46 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).