[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C21H19ClN4O4 — CID 42650128

IUPAC[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-14-5-6-19-23-15(12-26(19)11-14)20(27)24-7-9-25(10-8-24)21(28)18-13-29-16-3-1-2-4-17(16)30-18/h1-6,11-12,18H,7-10,13H2
InChIKeyBYXQVWXSWNARSG-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.11
Rot. Bonds2

About [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 42650128) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID42650128
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Name[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-14-5-6-19-23-15(12-26(19)11-14)20(27)24-7-9-25(10-8-24)21(28)18-13-29-16-3-1-2-4-17(16)30-18/h1-6,11-12,18H,7-10,13H2
InChIKeyBYXQVWXSWNARSG-UHFFFAOYSA-N
XLogP2.11
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 42234875
[4-(2-chloro-5-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 97489585
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
[4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 42570410
13-chloro-5-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 100749823
[4-(4-bromobenzoyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43010611
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 755163
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]methanone
CID 43010619
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 3410355

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 42650128) is [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is O=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is BYXQVWXSWNARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c22-14-5-6-19-23-15(12-26(19)11-14)20(27)24-7-9-25(10-8-24)21(28)18-13-29-16-3-1-2-4-17(16)30-18/h1-6,11-12,18H,7-10,13H2.
What are the key properties of [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
[4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 426.86 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 42650128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).