7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one

C22H25N3O6S2 — CID 91668542

IUPAC7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N4CCN(S(C)(=O)=O)CC4)sc23)cc1OC
InChIInChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3
InChIKeyBEIFGZXXCPXAAY-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.00
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one

7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one (PubChem CID 91668542) has the molecular formula C22H25N3O6S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
PubChem CID91668542
Molecular FormulaC22H25N3O6S2
Molecular Weight491.59 g/mol
Exact Mass491.12
IUPAC Name7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N4CCN(S(C)(=O)=O)CC4)sc23)cc1OC
InChIInChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3
InChIKeyBEIFGZXXCPXAAY-UHFFFAOYSA-N
XLogP2.00
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

N-[1,1-Bis(Oxidanylidene)thian-4-Yl]-7-(3,4-Dimethoxyphenyl)-5-Methyl-4-Oxidanylidene-Thieno[3,2-C]pyridine-2-Carboxamide
CID 91668539
7-(3,4-dimethoxyphenyl)-N'-(1,1-dioxothian-4-yl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
CID 127025420
1-(2,3-Dimethoxybenzoyl)-4-(2-thienylcarbonyl)piperazine
CID 1148081
[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2671442
3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 4418319
1-[4-[(3,4-Dimethoxyphenyl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 9437492
(3,4-Dimethoxyphenyl)[1-(3-thienylmethyl)-3-piperidinyl]methanone
CID 16187725
(3,4-Dimethoxyphenyl){1-[(5-methyl-2-thienyl)methyl]piperidin-3-yl}methanone
CID 16191554
1-[4-[(4,5-Dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 16314919
7-(3,4-dimethoxyphenyl)-N,5-dimethyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 127025982
2-(3,4-Dimethoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2468300
[4-[(2,3-Dimethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 712500

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one (CID 91668542) is 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one is COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N4CCN(S(C)(=O)=O)CC4)sc23)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is BEIFGZXXCPXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S2/c1-23-13-16(14-5-6-17(30-2)18(11-14)31-3)20-15(21(23)26)12-19(32-20)22(27)24-7-9-25(10-8-24)33(4,28)29/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 491.59 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 91668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).