7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one

C14H16BrFN2OS — CID 90156315

IUPAC7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCCC(F)C3)cc2c1=O
InChIInChI=1S/C14H16BrFN2OS/c1-17-8-12(15)13-11(14(17)19)5-10(20-13)7-18-4-2-3-9(16)6-18/h5,8-9H,2-4,6-7H2,1H3
InChIKeySKIATTGGGIRHEM-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.30
Rot. Bonds2

About 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one

7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 90156315) has the molecular formula C14H16BrFN2OS and a molecular weight of 359.26 g/mol. Its IUPAC name is 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID90156315
Molecular FormulaC14H16BrFN2OS
Molecular Weight359.26 g/mol
Exact Mass358.02
IUPAC Name7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCCC(F)C3)cc2c1=O
InChIInChI=1S/C14H16BrFN2OS/c1-17-8-12(15)13-11(14(17)19)5-10(20-13)7-18-4-2-3-9(16)6-18/h5,8-9H,2-4,6-7H2,1H3
InChIKeySKIATTGGGIRHEM-UHFFFAOYSA-N
XLogP3.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 155458369
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CID 155571966
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CID 155571985
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CID 78883884
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CID 79929076
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CID 79946332
CID 79946332

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one (CID 90156315) is 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one is Cn1cc(Br)c2sc(CN3CCCC(F)C3)cc2c1=O.
What is the InChIKey of 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is SKIATTGGGIRHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2OS/c1-17-8-12(15)13-11(14(17)19)5-10(20-13)7-18-4-2-3-9(16)6-18/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 359.26 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 90156315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).