[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C20H20N4O5S — CID 56508512

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H20N4O5S/c25-20(15-1-4-19-21-5-6-23(19)14-15)22-7-9-24(10-8-22)30(26,27)16-2-3-17-18(13-16)29-12-11-28-17/h1-6,13-14H,7-12H2
InChIKeyVSRQEOZPPMEFRV-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.25
Rot. Bonds3

About [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 56508512) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID56508512
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H20N4O5S/c25-20(15-1-4-19-21-5-6-23(19)14-15)22-7-9-24(10-8-22)30(26,27)16-2-3-17-18(13-16)29-12-11-28-17/h1-6,13-14H,7-12H2
InChIKeyVSRQEOZPPMEFRV-UHFFFAOYSA-N
XLogP1.25
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2108325
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 4852739
3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-oxopropanoic acid
CID 2051972
(4-chloro-2-fluorophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone
CID 46561414
(7-bromo-3H-benzimidazol-5-yl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]methanone
CID 167956034
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 9496625
phenyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carboxylate
CID 9116146
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 51274173
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 55532115
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-propylpiperazine-1-carboxamide
CID 4799112
2-amino-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119311225
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150905

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 56508512) is [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is O=C(c1ccc2nccn2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is VSRQEOZPPMEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c25-20(15-1-4-19-21-5-6-23(19)14-15)22-7-9-24(10-8-22)30(26,27)16-2-3-17-18(13-16)29-12-11-28-17/h1-6,13-14H,7-12H2.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 428.47 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 56508512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).