1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one

C20H23FN2OS — CID 71890018

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC1c1cccc(F)c1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2OS/c21-17-4-1-3-15(13-17)18-5-2-9-22(18)11-7-20(24)23-10-6-19-16(14-23)8-12-25-19/h1,3-4,8,12-13,18H,2,5-7,9-11,14H2
InChIKeyVPFGQMOANPMRAA-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.00
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 71890018) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID71890018
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC1c1cccc(F)c1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2OS/c21-17-4-1-3-15(13-17)18-5-2-9-22(18)11-7-20(24)23-10-6-19-16(14-23)8-12-25-19/h1,3-4,8,12-13,18H,2,5-7,9-11,14H2
InChIKeyVPFGQMOANPMRAA-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Benzyl-piperidin-4-yl)-2-thiophen-3-yl-acetamide
CID 10925078
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 57325845
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 168273424
3-[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]-1-(2-thienylmethyl)-2,5-pyrrolidinedione
CID 5741945
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(prop-2-enylamino)ethanone
CID 3421591
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
1-[7-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 44210519
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone
CID 18142221
1-[2-(3-Fluorophenyl)pyrrolidin-1-YL]-2-(thiophen-2-YL)ethan-1-one
CID 20895671

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one (CID 71890018) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one is O=C(CCN1CCCC1c1cccc(F)c1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VPFGQMOANPMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2OS/c21-17-4-1-3-15(13-17)18-5-2-9-22(18)11-7-20(24)23-10-6-19-16(14-23)8-12-25-19/h1,3-4,8,12-13,18H,2,5-7,9-11,14H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 358.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 71890018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).