(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone

C17H16FNOS — CID 60676493

IUPAC(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C17H16FNOS/c18-14-4-2-1-3-12(14)17(20)19-9-7-15-13(8-10-21-15)16(19)11-5-6-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeyVWDHRMYWLAULPC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.04
Rot. Bonds2

About (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone

(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone (PubChem CID 60676493) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
PubChem CID60676493
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C17H16FNOS/c18-14-4-2-1-3-12(14)17(20)19-9-7-15-13(8-10-21-15)16(19)11-5-6-11/h1-4,8,10-11,16H,5-7,9H2
InChIKeyVWDHRMYWLAULPC-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646256
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(3-amino-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741566
(1-aminocyclopropyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65465100
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62788767
1-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,3-dione
CID 54876687
(5-bromo-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62952883
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-piperidin-4-ylmethanone
CID 60938600
(2-bromo-4-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103754003
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
CID 101064485

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone (CID 60676493) is (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCc2sccc2C1C1CC1.
What is the InChIKey of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone?
The InChIKey is VWDHRMYWLAULPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-14-4-2-1-3-12(14)17(20)19-9-7-15-13(8-10-21-15)16(19)11-5-6-11/h1-4,8,10-11,16H,5-7,9H2.
What are the key properties of (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone?
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone has a molecular weight of 301.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 60676493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).