1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol

C17H13F3N6O2S — CID 172542033

IUPAC1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
SMILESCn1nnc2cc(-c3ccc4nc(C5(O)CC(OC(F)(F)F)C5)sc4n3)cnc21
InChIInChI=1S/C17H13F3N6O2S/c1-26-13-12(24-25-26)4-8(7-21-13)10-2-3-11-14(22-10)29-15(23-11)16(27)5-9(6-16)28-17(18,19)20/h2-4,7,9,27H,5-6H2,1H3
InChIKeyYIJINVGPKNPRMY-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.92
Rot. Bonds3

About 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol

1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol (PubChem CID 172542033) has the molecular formula C17H13F3N6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
PubChem CID172542033
Molecular FormulaC17H13F3N6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC Name1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
SMILESCn1nnc2cc(-c3ccc4nc(C5(O)CC(OC(F)(F)F)C5)sc4n3)cnc21
InChIInChI=1S/C17H13F3N6O2S/c1-26-13-12(24-25-26)4-8(7-21-13)10-2-3-11-14(22-10)29-15(23-11)16(27)5-9(6-16)28-17(18,19)20/h2-4,7,9,27H,5-6H2,1H3
InChIKeyYIJINVGPKNPRMY-UHFFFAOYSA-N
XLogP2.92
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol with MolForge

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Related Compounds

US20230295159, Example 23
CID 162434427
(R)-(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methanol
CID 172542545
1-[6-(2,8-Dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]piperidin-4-ol
CID 152274844
3-(Difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542054
3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542056
(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542064
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542065
2,2-Difluoro-5-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542090
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542092
3-(Difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542095
3-(Difluoromethyl)-1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]cyclobutan-1-ol
CID 172542098
1-[6-(3-Methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542112

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol?
The IUPAC name of 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol (CID 172542033) is 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol.
What is the SMILES notation for 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol?
The canonical SMILES for 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol is Cn1nnc2cc(-c3ccc4nc(C5(O)CC(OC(F)(F)F)C5)sc4n3)cnc21.
What is the InChIKey of 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol?
The InChIKey is YIJINVGPKNPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c1-26-13-12(24-25-26)4-8(7-21-13)10-2-3-11-14(22-10)29-15(23-11)16(27)5-9(6-16)28-17(18,19)20/h2-4,7,9,27H,5-6H2,1H3.
What are the key properties of 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol?
1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol has a molecular weight of 422.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol is sourced from PubChem (CID 172542033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).