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

C23H20F3N3OS — CID 29096293

IUPAC3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)s1
InChIInChI=1S/C23H20F3N3OS/c1-3-16-10-11-19(31-16)18-12-17(23(24,25)26)20-21(13-4-5-13)28-29(22(20)27-18)14-6-8-15(30-2)9-7-14/h6-13H,3-5H2,1-2H3
InChIKeyRJWGXSZOVDEDBP-UHFFFAOYSA-N
MW443.49 g/mol
LogP6.62
Rot. Bonds5

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

3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29096293) has the molecular formula C23H20F3N3OS and a molecular weight of 443.49 g/mol. Its IUPAC name is 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29096293
Molecular FormulaC23H20F3N3OS
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC Name3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)s1
InChIInChI=1S/C23H20F3N3OS/c1-3-16-10-11-19(31-16)18-12-17(23(24,25)26)20-21(13-4-5-13)28-29(22(20)27-18)14-6-8-15(30-2)9-7-14/h6-13H,3-5H2,1-2H3
InChIKeyRJWGXSZOVDEDBP-UHFFFAOYSA-N
XLogP6.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29096293) is 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)s1.
What is the InChIKey of 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is RJWGXSZOVDEDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3OS/c1-3-16-10-11-19(31-16)18-12-17(23(24,25)26)20-21(13-4-5-13)28-29(22(20)27-18)14-6-8-15(30-2)9-7-14/h6-13H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 443.49 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).