[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone

C17H17N5O2S — CID 91948945

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc3nsnc3c2)CC1
InChIInChI=1S/C17H17N5O2S/c1-24-15-5-3-2-4-14(15)21-6-8-22(9-7-21)17(23)12-10-13-16(18-11-12)20-25-19-13/h2-5,10-11H,6-9H2,1H3
InChIKeyLWXZLFIXXXOAQK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.06
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone (PubChem CID 91948945) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone
PubChem CID91948945
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc3nsnc3c2)CC1
InChIInChI=1S/C17H17N5O2S/c1-24-15-5-3-2-4-14(15)21-6-8-22(9-7-21)17(23)12-10-13-16(18-11-12)20-25-19-13/h2-5,10-11H,6-9H2,1H3
InChIKeyLWXZLFIXXXOAQK-UHFFFAOYSA-N
XLogP2.06
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrophenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5187660
[5-chloro-6-(1-methylimidazol-2-yl)sulfanyl-3-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51132687
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone (CID 91948945) is [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cnc3nsnc3c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone?
The InChIKey is LWXZLFIXXXOAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-15-5-3-2-4-14(15)21-6-8-22(9-7-21)17(23)12-10-13-16(18-11-12)20-25-19-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone has a molecular weight of 355.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone is sourced from PubChem (CID 91948945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).