5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol

C19H19F3N4OS — CID 137256628

IUPAC5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESC=C(C)Cc1nc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(SCC)cc1O
InChIInChI=1S/C19H19F3N4OS/c1-5-28-15-8-14(27)12(6-10(2)3)24-17(15)18-25-11-7-16(19(20,21)22)23-9-13(11)26(18)4/h7-9,27H,2,5-6H2,1,3-4H3
InChIKeyQSZMXXJBXOGTFO-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.99
Rot. Bonds5

About 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol

5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (PubChem CID 137256628) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
PubChem CID137256628
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
SMILESC=C(C)Cc1nc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(SCC)cc1O
InChIInChI=1S/C19H19F3N4OS/c1-5-28-15-8-14(27)12(6-10(2)3)24-17(15)18-25-11-7-16(19(20,21)22)23-9-13(11)26(18)4/h7-9,27H,2,5-6H2,1,3-4H3
InChIKeyQSZMXXJBXOGTFO-UHFFFAOYSA-N
XLogP4.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(Difluoromethoxy)-3-ethylsulfanyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117781020
2-[5-(Difluoromethoxy)-3-ethylsulfonyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117814335
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine
CID 121405285
6-(Difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-3-methylimidazo[4,5-c]pyridine
CID 121458111
2-[5-(Difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 123197728
2-[3-Ethylsulfanyl-5-(2-methylprop-2-enoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 132200225
4-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[2,3-c]pyridine
CID 132200228
2-[5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxyacetonitrile
CID 135368070
2-[5-(1,3-Difluoropropan-2-yloxy)-3-ethylsulfonylpyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368089
2-[5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxy-2-methylpropanenitrile
CID 135368091
2-[3-Ethylsulfonyl-5-(2-methylsulfanylethoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368093
3-[5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]oxycyclobutan-1-ol
CID 135368111

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The IUPAC name of 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol (CID 137256628) is 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The canonical SMILES for 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is C=C(C)Cc1nc(-c2nc3cc(C(F)(F)F)ncc3n2C)c(SCC)cc1O.
What is the InChIKey of 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
The InChIKey is QSZMXXJBXOGTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-5-28-15-8-14(27)12(6-10(2)3)24-17(15)18-25-11-7-16(19(20,21)22)23-9-13(11)26(18)4/h7-9,27H,2,5-6H2,1,3-4H3.
What are the key properties of 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol?
5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol has a molecular weight of 408.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol is sourced from PubChem (CID 137256628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).