[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium

C24H25N4O2+ — CID 123546918

IUPAC[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc([N+](C)(C)C)cc3)nc2c1
InChIInChI=1S/C24H25N4O2/c1-16-11-12-27-22(13-16)26-23(17-5-8-19(9-6-17)28(2,3)4)24(27)25-18-7-10-20-21(14-18)30-15-29-20/h5-14,25H,15H2,1-4H3/q+1
InChIKeyHTISXANSPPKJCK-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.98
Rot. Bonds4

About [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium

[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium (PubChem CID 123546918) has the molecular formula C24H25N4O2+ and a molecular weight of 401.49 g/mol. Its IUPAC name is [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
PubChem CID123546918
Molecular FormulaC24H25N4O2+
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc([N+](C)(C)C)cc3)nc2c1
InChIInChI=1S/C24H25N4O2/c1-16-11-12-27-22(13-16)26-23(17-5-8-19(9-6-17)28(2,3)4)24(27)25-18-7-10-20-21(14-18)30-15-29-20/h5-14,25H,15H2,1-4H3/q+1
InChIKeyHTISXANSPPKJCK-UHFFFAOYSA-N
XLogP4.98
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 4059941
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 163329459
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
2-(1,3-benzodioxol-5-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 5206181
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
2-[2-(1,3-benzodioxol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127953
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53211014
N-(4-chlorophenyl)-7-methyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7337996
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium?
The IUPAC name of [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium (CID 123546918) is [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium.
What is the SMILES notation for [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium?
The canonical SMILES for [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium is Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc([N+](C)(C)C)cc3)nc2c1.
What is the InChIKey of [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium?
The InChIKey is HTISXANSPPKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O2/c1-16-11-12-27-22(13-16)26-23(17-5-8-19(9-6-17)28(2,3)4)24(27)25-18-7-10-20-21(14-18)30-15-29-20/h5-14,25H,15H2,1-4H3/q+1.
What are the key properties of [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium?
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium has a molecular weight of 401.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium is sourced from PubChem (CID 123546918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).