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

C14H18BrN3O3S2 — CID 90156500

IUPAC7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O
InChIInChI=1S/C14H18BrN3O3S2/c1-16-9-12(15)13-11(14(16)19)7-10(22-13)8-17-3-5-18(6-4-17)23(2,20)21/h7,9H,3-6,8H2,1-2H3
InChIKeySYHSNHLPRGQBFD-UHFFFAOYSA-N
MW420.35 g/mol
LogP1.44
Rot. Bonds3

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

7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 90156500) has the molecular formula C14H18BrN3O3S2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID90156500
Molecular FormulaC14H18BrN3O3S2
Molecular Weight420.35 g/mol
Exact Mass419.00
IUPAC Name7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCn1cc(Br)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O
InChIInChI=1S/C14H18BrN3O3S2/c1-16-9-12(15)13-11(14(16)19)7-10(22-13)8-17-3-5-18(6-4-17)23(2,20)21/h7,9H,3-6,8H2,1-2H3
InChIKeySYHSNHLPRGQBFD-UHFFFAOYSA-N
XLogP1.44
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 74763014
7-bromo-2-[[(2R)-4-ethylsulfonyl-2-methylpiperazin-1-yl]methyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 90156518
7-(3-methoxy-2-methylphenyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 74763588
7-(3,4-dimethoxyphenyl)-5-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 90156369
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-7-(3,4-dimethoxyphenyl)-5-methylthieno[3,2-c]pyridin-4-one
CID 74763296
5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]-7-(2-oxo-1H-pyridin-4-yl)thieno[3,2-c]pyridin-4-one
CID 122603131
7-(3,4-dimethoxyphenyl)-2-[[(3R)-3-ethyl-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 129168117
4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
2-(1,4-diazepan-1-ylmethyl)-7-(4-ethyl-3-methoxyphenyl)-5-methylthieno[3,2-c]pyridin-4-one
CID 126660611
N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728900
3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 62994511
ethane;N-[4-[2-[(4-ethylsulfinylpiperazin-1-yl)methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144628540

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 90156500) is 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one is Cn1cc(Br)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O.
What is the InChIKey of 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is SYHSNHLPRGQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3S2/c1-16-9-12(15)13-11(14(16)19)7-10(22-13)8-17-3-5-18(6-4-17)23(2,20)21/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 420.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 90156500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).