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

C14H15BrF2N2OS — CID 122603148

IUPAC7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCCC(F)(F)C3)cc2c1=O
InChIInChI=1S/C14H15BrF2N2OS/c1-18-7-11(15)12-10(13(18)20)5-9(21-12)6-19-4-2-3-14(16,17)8-19/h5,7H,2-4,6,8H2,1H3
InChIKeyHIFJDYHBFYEINO-UHFFFAOYSA-N
MW377.25 g/mol
LogP3.59
Rot. Bonds2

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

7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 122603148) has the molecular formula C14H15BrF2N2OS and a molecular weight of 377.25 g/mol. Its IUPAC name is 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID122603148
Molecular FormulaC14H15BrF2N2OS
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC Name7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCCC(F)(F)C3)cc2c1=O
InChIInChI=1S/C14H15BrF2N2OS/c1-18-7-11(15)12-10(13(18)20)5-9(21-12)6-19-4-2-3-14(16,17)8-19/h5,7H,2-4,6,8H2,1H3
InChIKeyHIFJDYHBFYEINO-UHFFFAOYSA-N
XLogP3.59
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

2-bromo-5-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridin-4-one
CID 84049272
(4-Methyl-2-thienyl)[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methanone
CID 49718439
7-Bromo-2-[(3-fluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 90156315
7-Bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one
CID 123272724
7-Bromo-2-ethyl-5-methylthieno[3,2-c]pyridin-4-one;3,3-difluorooctane
CID 144628448
4-[(7-Bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carbonyl)amino]-3,3-difluoropiperidine-1-carboxylic acid
CID 155026405
4-bromo-6-methyl-7-oxo-N-[1-(trifluoromethyl)cyclopropyl]thieno[2,3-c]pyridine-2-carboxamide
CID 155458312
4-bromo-6-methyl-7-oxo-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 155458369
(3,3-Difluoropiperidin-1-yl)-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 155571966
(4,5-Diethylthiophen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155571985
(3,3-Difluoropiperidin-1-yl)-(5-ethyl-4-propylthiophen-2-yl)methanone;ethane
CID 155572054
1-(2,2-Difluoroethyl)-5-[2-(7,7-difluoro-5-methyl-4,6-dihydrothieno[3,2-c]pyridin-2-yl)-2-oxoethyl]-3-fluoropyridin-2-one
CID 167673984

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one (CID 122603148) is 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one is Cn1cc(Br)c2sc(CN3CCCC(F)(F)C3)cc2c1=O.
What is the InChIKey of 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is HIFJDYHBFYEINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2OS/c1-18-7-11(15)12-10(13(18)20)5-9(21-12)6-19-4-2-3-14(16,17)8-19/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one?
7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 377.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 122603148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).