3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one

C19H15ClF2N2O2S — CID 129227424

IUPAC3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC[C@@H](F)C1
InChIInChI=1S/C19H15ClF2N2O2S/c20-14-7-11(1-2-15(14)22)13-10-27-16-4-6-24(19(26)18(13)16)9-17(25)23-5-3-12(21)8-23/h1-2,4,6-7,10,12H,3,5,8-9H2/t12-/m1/s1
InChIKeyDWSJGDOWOSAHND-GFCCVEGCSA-N
MW408.86 g/mol
LogP4.09
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one

3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 129227424) has the molecular formula C19H15ClF2N2O2S and a molecular weight of 408.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
PubChem CID129227424
Molecular FormulaC19H15ClF2N2O2S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC[C@@H](F)C1
InChIInChI=1S/C19H15ClF2N2O2S/c20-14-7-11(1-2-15(14)22)13-10-27-16-4-6-24(19(26)18(13)16)9-17(25)23-5-3-12(21)8-23/h1-2,4,6-7,10,12H,3,5,8-9H2/t12-/m1/s1
InChIKeyDWSJGDOWOSAHND-GFCCVEGCSA-N
XLogP4.09
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one (CID 129227424) is 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one is O=C(Cn1ccc2scc(-c3ccc(F)c(Cl)c3)c2c1=O)N1CC[C@@H](F)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is DWSJGDOWOSAHND-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2S/c20-14-7-11(1-2-15(14)22)13-10-27-16-4-6-24(19(26)18(13)16)9-17(25)23-5-3-12(21)8-23/h1-2,4,6-7,10,12H,3,5,8-9H2/t12-/m1/s1.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 408.86 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 129227424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).