[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride

C23H26Cl2N4O2 — CID 135406530

IUPAC[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride
SMILESCCOC(=[NH2+])/C=C/c1ccc(-c2cn3cc(/C=C/C(=[NH2+])OCC)ccc3n2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C23H24N4O2.2ClH/c1-3-28-21(24)12-7-17-5-10-19(11-6-17)20-16-27-15-18(9-14-23(27)26-20)8-13-22(25)29-4-2;;/h5-16,24-25H,3-4H2,1-2H3;2*1H/b12-7+,13-8+,24-21?,25-22?;;
InChIKeyWBJRROANDGJMJI-VYOKZBMDSA-N
MW461.39 g/mol
LogP-4.58
Rot. Bonds7

About [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride

[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride (PubChem CID 135406530) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride.

Molecular Properties

Compound Name[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride
PubChem CID135406530
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride
SMILESCCOC(=[NH2+])/C=C/c1ccc(-c2cn3cc(/C=C/C(=[NH2+])OCC)ccc3n2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C23H24N4O2.2ClH/c1-3-28-21(24)12-7-17-5-10-19(11-6-17)20-16-27-15-18(9-14-23(27)26-20)8-13-22(25)29-4-2;;/h5-16,24-25H,3-4H2,1-2H3;2*1H/b12-7+,13-8+,24-21?,25-22?;;
InChIKeyWBJRROANDGJMJI-VYOKZBMDSA-N
XLogP-4.58
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 5-4.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-ethoxy-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enylidene]azanium chloride
CID 135439551
(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal
CID 99726261
(E)-3-[4-[6-[(E)-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 10577217
2-[(3E,6E)-5-methylidene-7-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-nitrohepta-1,3,6-trien-4-yl]oxyethanol
CID 143962423
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694
[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanol
CID 54382865
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021351
ethane;4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenol
CID 143799480
[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]methanimine
CID 146521508
ethyl 1-[[6-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139505017
3-[4-(6-(123I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]propan-1-ol
CID 24880821
4-amino-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
CID 39176203

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride?
The IUPAC name of [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride (CID 135406530) is [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride.
What is the SMILES notation for [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride?
The canonical SMILES for [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride is CCOC(=[NH2+])/C=C/c1ccc(-c2cn3cc(/C=C/C(=[NH2+])OCC)ccc3n2)cc1.[Cl-].[Cl-].
What is the InChIKey of [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride?
The InChIKey is WBJRROANDGJMJI-VYOKZBMDSA-N. The full InChI is InChI=1S/C23H24N4O2.2ClH/c1-3-28-21(24)12-7-17-5-10-19(11-6-17)20-16-27-15-18(9-14-23(27)26-20)8-13-22(25)29-4-2;;/h5-16,24-25H,3-4H2,1-2H3;2*1H/b12-7+,13-8+,24-21?,25-22?;;.
What are the key properties of [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride?
[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride has a molecular weight of 461.39 g/mol, XLogP of -4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride is sourced from PubChem (CID 135406530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).