1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one

C18H17F5N4OS — CID 156895224

IUPAC1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one
SMILESCCSc1cccnc1-c1cc2c(cn1)n(CC(F)(F)C(F)(F)F)c(=O)n2CC
InChIInChI=1S/C18H17F5N4OS/c1-3-26-12-8-11(15-14(29-4-2)6-5-7-24-15)25-9-13(12)27(16(26)28)10-17(19,20)18(21,22)23/h5-9H,3-4,10H2,1-2H3
InChIKeyPKPAOAQATJMOSZ-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.59
Rot. Bonds6

About 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one

1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 156895224) has the molecular formula C18H17F5N4OS and a molecular weight of 432.42 g/mol. Its IUPAC name is 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one
PubChem CID156895224
Molecular FormulaC18H17F5N4OS
Molecular Weight432.42 g/mol
Exact Mass432.10
IUPAC Name1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one
SMILESCCSc1cccnc1-c1cc2c(cn1)n(CC(F)(F)C(F)(F)F)c(=O)n2CC
InChIInChI=1S/C18H17F5N4OS/c1-3-26-12-8-11(15-14(29-4-2)6-5-7-24-15)25-9-13(12)27(16(26)28)10-17(19,20)18(21,22)23/h5-9H,3-4,10H2,1-2H3
InChIKeyPKPAOAQATJMOSZ-UHFFFAOYSA-N
XLogP4.59
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)-2H-imidazo[4,5-b]pyridin-1-yl]acetonitrile
CID 90271541
4-(3-Ethylsulfanylpyridin-2-yl)-1-(2,2,3,3,4,4,5,5-octafluoropentyl)pyrimidin-2-one
CID 121264825
4-(3-ethylsulfanyl-2-pyridinyl)-3-methyl-1-(2,2,3,3-tetrafluoropropyl)-4H-pyrimidin-2-one
CID 130312406
(6S)-N-[2-(difluoromethyl)pyridin-4-yl]-6-methyl-3-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 132145891
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-1-sulfanyl-2H-imidazo[4,5-c]pyridine
CID 137380391
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]-N-methylacetamide
CID 142621000
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]-N-methylacetamide
CID 142621047
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
CID 142621049
N-[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-yl]-N-propan-2-ylacetamide
CID 142621072
1-(4-fluorophenyl)-N-[1-(6-methylsulfanyl-2-pyridinyl)butyl]-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 144407268
4-[difluoro(pyrazolo[1,5-a]pyridin-6-ylsulfanyl)methyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127448
4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-difluoromethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 147407536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one (CID 156895224) is 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one is CCSc1cccnc1-c1cc2c(cn1)n(CC(F)(F)C(F)(F)F)c(=O)n2CC.
What is the InChIKey of 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is PKPAOAQATJMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4OS/c1-3-26-12-8-11(15-14(29-4-2)6-5-7-24-15)25-9-13(12)27(16(26)28)10-17(19,20)18(21,22)23/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one?
1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 432.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(3-ethylsulfanyl-2-pyridinyl)-3-(2,2,3,3,3-pentafluoropropyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 156895224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).