1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride

C19H21ClFNO2S — CID 68895421

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
SMILESCOc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl
InChIInChI=1S/C19H20FNO2S.ClH/c1-23-17-10-13-11-21(9-8-16(13)24-17)18(19(22)12-6-7-12)14-4-2-3-5-15(14)20;/h2-5,10,12,18H,6-9,11H2,1H3;1H
InChIKeyKFWKKYYHEYLTDO-UHFFFAOYSA-N
MW381.90 g/mol
LogP4.40
Rot. Bonds5

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride

1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride (PubChem CID 68895421) has the molecular formula C19H21ClFNO2S and a molecular weight of 381.90 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
PubChem CID68895421
Molecular FormulaC19H21ClFNO2S
Molecular Weight381.90 g/mol
Exact Mass381.10
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
SMILESCOc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl
InChIInChI=1S/C19H20FNO2S.ClH/c1-23-17-10-13-11-21(9-8-16(13)24-17)18(19(22)12-6-7-12)14-4-2-3-5-15(14)20;/h2-5,10,12,18H,6-9,11H2,1H3;1H
InChIKeyKFWKKYYHEYLTDO-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride (CID 68895421) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride is COc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride?
The InChIKey is KFWKKYYHEYLTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S.ClH/c1-23-17-10-13-11-21(9-8-16(13)24-17)18(19(22)12-6-7-12)14-4-2-3-5-15(14)20;/h2-5,10,12,18H,6-9,11H2,1H3;1H.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride?
1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 68895421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).