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

C19H22N4O4S2 — CID 74763014

IUPAC7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cncc(O)c2)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O
InChIInChI=1S/C19H22N4O4S2/c1-21-12-17(13-7-14(24)10-20-9-13)18-16(19(21)25)8-15(28-18)11-22-3-5-23(6-4-22)29(2,26)27/h7-10,12,24H,3-6,11H2,1-2H3
InChIKeyUASLGMKXQSBDGT-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.44
Rot. Bonds4

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

7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 74763014) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID74763014
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2cncc(O)c2)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O
InChIInChI=1S/C19H22N4O4S2/c1-21-12-17(13-7-14(24)10-20-9-13)18-16(19(21)25)8-15(28-18)11-22-3-5-23(6-4-22)29(2,26)27/h7-10,12,24H,3-6,11H2,1-2H3
InChIKeyUASLGMKXQSBDGT-UHFFFAOYSA-N
XLogP1.44
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-bromo-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 90156500
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
5-methyl-2-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]-7-[5-(1-pyridin-2-ylethoxy)-3-pyridinyl]thieno[3,2-c]pyridin-4-one
CID 90156382
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
ethane;N-[4-[2-[(4-ethylsulfinylpiperazin-1-yl)methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144628540
[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]-3-pyridinyl]methanol
CID 58233987
2-(1,4-diazepan-1-ylmethyl)-7-(4-ethyl-3-methoxyphenyl)-5-methylthieno[3,2-c]pyridin-4-one
CID 126660611
tert-butyl 4-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl]-1,4-diazepane-1-carboxylate
CID 122603132
N-[4-[2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603120

Frequently Asked Questions

What is the IUPAC name of 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one (CID 74763014) is 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one is Cn1cc(-c2cncc(O)c2)c2sc(CN3CCN(S(C)(=O)=O)CC3)cc2c1=O.
What is the InChIKey of 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is UASLGMKXQSBDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-21-12-17(13-7-14(24)10-20-9-13)18-16(19(21)25)8-15(28-18)11-22-3-5-23(6-4-22)29(2,26)27/h7-10,12,24H,3-6,11H2,1-2H3.
What are the key properties of 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one?
7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 434.54 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-hydroxy-3-pyridinyl)-5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 74763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).