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

C17H14F2N6OS — CID 172542095

IUPAC3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCn1nnc2cc(-c3ccc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc21
InChIInChI=1S/C17H14F2N6OS/c1-25-14-12(23-24-25)4-8(7-20-14)10-2-3-11-15(21-10)27-16(22-11)17(26)5-9(6-17)13(18)19/h2-4,7,9,13,26H,5-6H2,1H3
InChIKeyVEOGDRXCDRYYCO-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.90
Rot. Bonds3

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

3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol (PubChem CID 172542095) has the molecular formula C17H14F2N6OS and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
PubChem CID172542095
Molecular FormulaC17H14F2N6OS
Molecular Weight388.40 g/mol
Exact Mass388.09
IUPAC Name3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol
SMILESCn1nnc2cc(-c3ccc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc21
InChIInChI=1S/C17H14F2N6OS/c1-25-14-12(23-24-25)4-8(7-20-14)10-2-3-11-15(21-10)27-16(22-11)17(26)5-9(6-17)13(18)19/h2-4,7,9,13,26H,5-6H2,1H3
InChIKeyVEOGDRXCDRYYCO-UHFFFAOYSA-N
XLogP2.90
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(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
8-(1-Ethyl-propyl)-2,6-dimethyl-3-(3-trifluoromethyl-thieno[3,2-b]pyridin-2-yl)-imidazo[1,2-b]pyridazine
CID 57752697
[4-[2-(2,6-Difluoro-4-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]methanol
CID 66624437
2-(2,6-Dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)-3-(trifluoromethyl)thieno[3,2-b]pyridine
CID 69146410
1-[5-(Difluoromethyl)-6-(triazol-1-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 149021205
2-methyl-1-[4-[4-methyl-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-1,3-thiazol-5-yl]piperidin-1-yl]propan-2-ol
CID 156320502
2-[6-[[4-[2-Amino-7-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855101
2-[6-[[4-[2-Amino-7-(difluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855150
2-[Ethyl-[2-ethyl-5-[2-[3-(hydroxymethyl)azetidin-1-yl]pyrimidin-5-yl]pyrazolo[4,3-b]pyridin-3-yl]amino]-4-(4-fluorocyclohexa-2,4-dien-1-yl)-1,3-thiazole-5-carbonitrile
CID 169815380
3-[[5-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-prop-2-enylamino]-1-ethylcyclobutan-1-ol
CID 172361988
2-Heptan-4-yl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]thieno[3,2-b]pyridine
CID 172378249
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol?
The IUPAC name of 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) is 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol is Cn1nnc2cc(-c3ccc4nc(C5(O)CC(C(F)F)C5)sc4n3)cnc21.
What is the InChIKey of 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol?
The InChIKey is VEOGDRXCDRYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6OS/c1-25-14-12(23-24-25)4-8(7-20-14)10-2-3-11-15(21-10)27-16(22-11)17(26)5-9(6-17)13(18)19/h2-4,7,9,13,26H,5-6H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol?
3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol has a molecular weight of 388.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[5-(3-methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).