[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

C21H19ClN4O4 — CID 42234875

IUPAC[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
SMILESO=C(c1cn2ccc(Cl)cc2n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-14-5-6-26-12-15(23-19(26)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/t18-/m0/s1
InChIKeyBHIHUOBEXZBRHV-SFHVURJKSA-N
MW426.86 g/mol
LogP2.11
Rot. Bonds2

About [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone (PubChem CID 42234875) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone.

Molecular Properties

Compound Name[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
PubChem CID42234875
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Name[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
SMILESO=C(c1cn2ccc(Cl)cc2n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-14-5-6-26-12-15(23-19(26)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/t18-/m0/s1
InChIKeyBHIHUOBEXZBRHV-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The IUPAC name of [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone (CID 42234875) is [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone.
What is the SMILES notation for [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The canonical SMILES for [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone is O=C(c1cn2ccc(Cl)cc2n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1.
What is the InChIKey of [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
The InChIKey is BHIHUOBEXZBRHV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c22-14-5-6-26-12-15(23-19(26)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/t18-/m0/s1.
What are the key properties of [4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone?
[4-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-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-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone is sourced from PubChem (CID 42234875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).