[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone

C24H29N3O3S — CID 37279499

IUPAC[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3sc4nc(C)cc(C)c4c3C)CC2)c1
InChIInChI=1S/C24H29N3O3S/c1-15-12-16(2)25-23-21(15)17(3)22(31-23)24(28)27-10-8-26(9-11-27)14-18-13-19(29-4)6-7-20(18)30-5/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyVMTRVWVTYHICKT-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.20
Rot. Bonds5

About [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone (PubChem CID 37279499) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
PubChem CID37279499
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3sc4nc(C)cc(C)c4c3C)CC2)c1
InChIInChI=1S/C24H29N3O3S/c1-15-12-16(2)25-23-21(15)17(3)22(31-23)24(28)27-10-8-26(9-11-27)14-18-13-19(29-4)6-7-20(18)30-5/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyVMTRVWVTYHICKT-UHFFFAOYSA-N
XLogP4.20
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24643480
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 49015474
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24610069
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 37280226
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 90601975

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone (CID 37279499) is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone is COc1ccc(OC)c(CN2CCN(C(=O)c3sc4nc(C)cc(C)c4c3C)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
The InChIKey is VMTRVWVTYHICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-15-12-16(2)25-23-21(15)17(3)22(31-23)24(28)27-10-8-26(9-11-27)14-18-13-19(29-4)6-7-20(18)30-5/h6-7,12-13H,8-11,14H2,1-5H3.
What are the key properties of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone?
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone has a molecular weight of 439.58 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 37279499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).