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

C13H13FN2O2S — CID 137361108

IUPAC2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C(Cc1cc2c(=O)[nH]ccc2s1)N1CCC(F)C1
InChIInChI=1S/C13H13FN2O2S/c14-8-2-4-16(7-8)12(17)6-9-5-10-11(19-9)1-3-15-13(10)18/h1,3,5,8H,2,4,6-7H2,(H,15,18)
InChIKeyHXRLFGVVEGEPLX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds2

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

2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 137361108) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one
PubChem CID137361108
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C(Cc1cc2c(=O)[nH]ccc2s1)N1CCC(F)C1
InChIInChI=1S/C13H13FN2O2S/c14-8-2-4-16(7-8)12(17)6-9-5-10-11(19-9)1-3-15-13(10)18/h1,3,5,8H,2,4,6-7H2,(H,15,18)
InChIKeyHXRLFGVVEGEPLX-UHFFFAOYSA-N
XLogP1.70
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thienopyridone
CID 91383855
Thiophene derivative, 3b
CID 25023796
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44563197
N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 1244199
N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 2712578
2-fluoro-N-{2-[(thiophen-2-ylmethyl)amino]ethyl}benzamide
CID 3156882
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4791418

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one (CID 137361108) is 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one is O=C(Cc1cc2c(=O)[nH]ccc2s1)N1CCC(F)C1.
What is the InChIKey of 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is HXRLFGVVEGEPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-8-2-4-16(7-8)12(17)6-9-5-10-11(19-9)1-3-15-13(10)18/h1,3,5,8H,2,4,6-7H2,(H,15,18).
What are the key properties of 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one?
2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 280.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 137361108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).