N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

C24H20N4O5 — CID 24542075

IUPACN'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(NNC(=O)C1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C24H20N4O5/c29-23(26-27-24(30)21-15-32-19-8-1-2-9-20(19)33-21)16-6-5-7-18(12-16)31-14-17-13-28-11-4-3-10-22(28)25-17/h1-13,21H,14-15H2,(H,26,29)(H,27,30)
InChIKeyYHDHYTWAXGWQNI-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.51
Rot. Bonds5

About N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (PubChem CID 24542075) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
PubChem CID24542075
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC NameN'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
SMILESO=C(NNC(=O)C1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C24H20N4O5/c29-23(26-27-24(30)21-15-32-19-8-1-2-9-20(19)33-21)16-6-5-7-18(12-16)31-14-17-13-28-11-4-3-10-22(28)25-17/h1-13,21H,14-15H2,(H,26,29)(H,27,30)
InChIKeyYHDHYTWAXGWQNI-UHFFFAOYSA-N
XLogP2.51
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
N'-(3-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 55332469
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55579517
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119457516
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039

Frequently Asked Questions

What is the IUPAC name of N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The IUPAC name of N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide (CID 24542075) is N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide.
What is the SMILES notation for N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The canonical SMILES for N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is O=C(NNC(=O)C1COc2ccccc2O1)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
The InChIKey is YHDHYTWAXGWQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c29-23(26-27-24(30)21-15-32-19-8-1-2-9-20(19)33-21)16-6-5-7-18(12-16)31-14-17-13-28-11-4-3-10-22(28)25-17/h1-13,21H,14-15H2,(H,26,29)(H,27,30).
What are the key properties of N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide?
N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide has a molecular weight of 444.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is sourced from PubChem (CID 24542075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).