6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one

C19H18F5N3O2S — CID 157313301

IUPAC6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCCSc1c(-c2ccc(OCC(C)(F)F)n(C)c2=O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F5N3O2S/c1-4-30-17-15(25-13-7-5-11(9-27(13)17)19(22,23)24)12-6-8-14(26(3)16(12)28)29-10-18(2,20)21/h5-9H,4,10H2,1-3H3
InChIKeyBDHDSYWVPAZOFT-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.86
Rot. Bonds6

About 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one

6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one (PubChem CID 157313301) has the molecular formula C19H18F5N3O2S and a molecular weight of 447.43 g/mol. Its IUPAC name is 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
PubChem CID157313301
Molecular FormulaC19H18F5N3O2S
Molecular Weight447.43 g/mol
Exact Mass447.10
IUPAC Name6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCCSc1c(-c2ccc(OCC(C)(F)F)n(C)c2=O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H18F5N3O2S/c1-4-30-17-15(25-13-7-5-11(9-27(13)17)19(22,23)24)12-6-8-14(26(3)16(12)28)29-10-18(2,20)21/h5-9H,4,10H2,1-3H3
InChIKeyBDHDSYWVPAZOFT-UHFFFAOYSA-N
XLogP4.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfanyl-2-(1-methylimidazol-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163221579
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
3-ethylsulfanyl-6-(trifluoromethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]imidazo[1,2-a]pyridine
CID 151101401
2-[6-[6-(2,2-difluoropropoxy)-1-methyl-2-oxo-3-pyridinyl]-5-ethoxysulfanyloxy-3-pyridinyl]acetonitrile
CID 158256094
6-(2,2-difluoropropoxy)-3-(2-ethylsulfanylacetyl)-1-methylpyridin-2-one
CID 157381095
6-(2,2-difluoropropoxy)-3-(3-ethyl-1-hydroxypyridin-1-ium-2-yl)-1-methylpyridin-2-one
CID 159364575
3-chloro-2-(3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 144859954
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
CID 170092848
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
2-amino-N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-5-(trifluoromethyl)benzamide
CID 170092905
2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514772
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one (CID 157313301) is 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one is CCSc1c(-c2ccc(OCC(C)(F)F)n(C)c2=O)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one?
The InChIKey is BDHDSYWVPAZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2S/c1-4-30-17-15(25-13-7-5-11(9-27(13)17)19(22,23)24)12-6-8-14(26(3)16(12)28)29-10-18(2,20)21/h5-9H,4,10H2,1-3H3.
What are the key properties of 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one?
6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one has a molecular weight of 447.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropoxy)-3-[3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 157313301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).