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

C24H19F3N4OS2 — CID 2370208

IUPAC4-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(-c5cccs5)nc43)n2)cc1
InChIInChI=1S/C24H19F3N4OS2/c1-14-22-17(24(25,26)27)12-18(20-4-3-11-33-20)29-23(22)31(30-14)10-9-21-28-19(13-34-21)15-5-7-16(32-2)8-6-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeySHUFUSBFKCCJMZ-UHFFFAOYSA-N
MW500.57 g/mol
LogP6.86
Rot. Bonds6

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

4-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole (PubChem CID 2370208) has the molecular formula C24H19F3N4OS2 and a molecular weight of 500.57 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
PubChem CID2370208
Molecular FormulaC24H19F3N4OS2
Molecular Weight500.57 g/mol
Exact Mass500.10
IUPAC Name4-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole
SMILESCOc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(-c5cccs5)nc43)n2)cc1
InChIInChI=1S/C24H19F3N4OS2/c1-14-22-17(24(25,26)27)12-18(20-4-3-11-33-20)29-23(22)31(30-14)10-9-21-28-19(13-34-21)15-5-7-16(32-2)8-6-15/h3-8,11-13H,9-10H2,1-2H3
InChIKeySHUFUSBFKCCJMZ-UHFFFAOYSA-N
XLogP6.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole (CID 2370208) is 4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole is COc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(-c5cccs5)nc43)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is SHUFUSBFKCCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4OS2/c1-14-22-17(24(25,26)27)12-18(20-4-3-11-33-20)29-23(22)31(30-14)10-9-21-28-19(13-34-21)15-5-7-16(32-2)8-6-15/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]ethyl]-1,3-thiazole?
4-(4-methoxyphenyl)-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 500.57 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-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 2370208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).