4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol

C22H19N3O3 — CID 102498211

IUPAC4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)c(NCc3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C22H19N3O3/c1-14-2-9-20-24-21(16-4-6-17(26)7-5-16)22(25(20)12-14)23-11-15-3-8-18-19(10-15)28-13-27-18/h2-10,12,23,26H,11,13H2,1H3
InChIKeyZLZSQXMCMHMDPJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.36
Rot. Bonds4

About 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol

4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 102498211) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID102498211
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)c(NCc3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C22H19N3O3/c1-14-2-9-20-24-21(16-4-6-17(26)7-5-16)22(25(20)12-14)23-11-15-3-8-18-19(10-15)28-13-27-18/h2-10,12,23,26H,11,13H2,1H3
InChIKeyZLZSQXMCMHMDPJ-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
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-ylmethyl)-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 84818990
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylphenyl)pyrimidine-2,4-diamine
CID 176893657
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-amine
CID 16667935
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 42600981

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol (CID 102498211) is 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccc2nc(-c3ccc(O)cc3)c(NCc3ccc4c(c3)OCO4)n2c1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is ZLZSQXMCMHMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-2-9-20-24-21(16-4-6-17(26)7-5-16)22(25(20)12-14)23-11-15-3-8-18-19(10-15)28-13-27-18/h2-10,12,23,26H,11,13H2,1H3.
What are the key properties of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 373.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 102498211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).