3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one

C19H16ClF2N3O2S — CID 129227694

IUPAC3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESCc1ncc(-c2csc3ccn(CC(=O)N4CC(F)(CF)C4)c(=O)c23)cc1Cl
InChIInChI=1S/C19H16ClF2N3O2S/c1-11-14(20)4-12(5-23-11)13-7-28-15-2-3-24(18(27)17(13)15)6-16(26)25-9-19(22,8-21)10-25/h2-5,7H,6,8-10H2,1H3
InChIKeyAQEAPHVJESVACM-UHFFFAOYSA-N
MW423.87 g/mol
LogP3.61
Rot. Bonds4

About 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one

3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 129227694) has the molecular formula C19H16ClF2N3O2S and a molecular weight of 423.87 g/mol. Its IUPAC name is 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
PubChem CID129227694
Molecular FormulaC19H16ClF2N3O2S
Molecular Weight423.87 g/mol
Exact Mass423.06
IUPAC Name3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESCc1ncc(-c2csc3ccn(CC(=O)N4CC(F)(CF)C4)c(=O)c23)cc1Cl
InChIInChI=1S/C19H16ClF2N3O2S/c1-11-14(20)4-12(5-23-11)13-7-28-15-2-3-24(18(27)17(13)15)6-16(26)25-9-19(22,8-21)10-25/h2-5,7H,6,8-10H2,1H3
InChIKeyAQEAPHVJESVACM-UHFFFAOYSA-N
XLogP3.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-5-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227684
3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227151
3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227736
3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 129227424
1-cyclopropyl-3-(3,4-dichlorophenyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]pyrrolo[3,2-c]pyridin-4-one
CID 129227516
3-(4-fluoro-3-methylphenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 154954704
5-[4-chloro-3-(fluoromethyl)phenyl]-3-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 129236081
3-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyridazin-4-one
CID 129227436
8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227474
5-(3-chloro-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 137360204
8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
CID 129227475
5-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(3,3-difluoroazetidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 129218191

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one (CID 129227694) is 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one is Cc1ncc(-c2csc3ccn(CC(=O)N4CC(F)(CF)C4)c(=O)c23)cc1Cl.
What is the InChIKey of 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is AQEAPHVJESVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2S/c1-11-14(20)4-12(5-23-11)13-7-28-15-2-3-24(18(27)17(13)15)6-16(26)25-9-19(22,8-21)10-25/h2-5,7H,6,8-10H2,1H3.
What are the key properties of 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 423.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-methyl-3-pyridinyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 129227694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).