4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole

C17H12F3N5OS — CID 53250480

IUPAC4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-n2c(-c3csc(C)n3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H12F3N5OS/c1-9-23-13(8-27-9)16-24-12-5-10(17(18,19)20)6-22-15(12)25(16)11-3-4-14(26-2)21-7-11/h3-8H,1-2H3
InChIKeyVLVQIYBYJKOFQV-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.27
Rot. Bonds3

About 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole

4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 53250480) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole
PubChem CID53250480
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC Name4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-n2c(-c3csc(C)n3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H12F3N5OS/c1-9-23-13(8-27-9)16-24-12-5-10(17(18,19)20)6-22-15(12)25(16)11-3-4-14(26-2)21-7-11/h3-8H,1-2H3
InChIKeyVLVQIYBYJKOFQV-UHFFFAOYSA-N
XLogP4.27
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole (CID 53250480) is 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole is COc1ccc(-n2c(-c3csc(C)n3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is VLVQIYBYJKOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c1-9-23-13(8-27-9)16-24-12-5-10(17(18,19)20)6-22-15(12)25(16)11-3-4-14(26-2)21-7-11/h3-8H,1-2H3.
What are the key properties of 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole?
4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 391.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 53250480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).