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

C21H15F3N4OS2 — CID 2370217

IUPAC4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccco3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H15F3N4OS2/c1-12-19-13(21(22,23)24)10-14(17-5-3-9-30-17)26-20(19)28(27-12)7-6-18-25-15(11-31-18)16-4-2-8-29-16/h2-5,8-11H,6-7H2,1H3
InChIKeyKBVLSYSDRHPLMC-UHFFFAOYSA-N
MW460.51 g/mol
LogP6.45
Rot. Bonds5

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

4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole (PubChem CID 2370217) has the molecular formula C21H15F3N4OS2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
PubChem CID2370217
Molecular FormulaC21H15F3N4OS2
Molecular Weight460.51 g/mol
Exact Mass460.06
IUPAC Name4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nn(CCc2nc(-c3ccco3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H15F3N4OS2/c1-12-19-13(21(22,23)24)10-14(17-5-3-9-30-17)26-20(19)28(27-12)7-6-18-25-15(11-31-18)16-4-2-8-29-16/h2-5,8-11H,6-7H2,1H3
InChIKeyKBVLSYSDRHPLMC-UHFFFAOYSA-N
XLogP6.45
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole (CID 2370217) is 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole is Cc1nn(CCc2nc(-c3ccco3)cs2)c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is KBVLSYSDRHPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4OS2/c1-12-19-13(21(22,23)24)10-14(17-5-3-9-30-17)26-20(19)28(27-12)7-6-18-25-15(11-31-18)16-4-2-8-29-16/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 460.51 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 2370217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).