2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole

C23H17F3N4S2 — CID 2331186

IUPAC2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccccc3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H17F3N4S2/c1-14-21-16(23(24,25)26)12-17(19-8-5-11-31-19)28-22(21)30(29-14)10-9-20-27-18(13-32-20)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3
InChIKeyXTWFGETUZKHXRL-UHFFFAOYSA-N
MW470.55 g/mol
LogP6.85
Rot. Bonds5

About 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole

2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole (PubChem CID 2331186) has the molecular formula C23H17F3N4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole
PubChem CID2331186
Molecular FormulaC23H17F3N4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC Name2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccccc3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H17F3N4S2/c1-14-21-16(23(24,25)26)12-17(19-8-5-11-31-19)28-22(21)30(29-14)10-9-20-27-18(13-32-20)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3
InChIKeyXTWFGETUZKHXRL-UHFFFAOYSA-N
XLogP6.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole (CID 2331186) is 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole is Cc1nn(CCc2nc(-c3ccccc3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole?
The InChIKey is XTWFGETUZKHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4S2/c1-14-21-16(23(24,25)26)12-17(19-8-5-11-31-19)28-22(21)30(29-14)10-9-20-27-18(13-32-20)15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3.
What are the key properties of 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole?
2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole has a molecular weight of 470.55 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 2331186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).