4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol

C22H19N3O3 — CID 3205771

IUPAC4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C22H19N3O3/c1-14-3-2-10-25-21(14)24-20(16-5-7-17(26)8-6-16)22(25)23-12-15-4-9-18-19(11-15)28-13-27-18/h2-11,23,26H,12-13H2,1H3
InChIKeyQCEYSMAZGGLLOY-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.36
Rot. Bonds4

About 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol

4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 3205771) 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)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID3205771
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C22H19N3O3/c1-14-3-2-10-25-21(14)24-20(16-5-7-17(26)8-6-16)22(25)23-12-15-4-9-18-19(11-15)28-13-27-18/h2-11,23,26H,12-13H2,1H3
InChIKeyQCEYSMAZGGLLOY-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol (CID 3205771) is 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol is Cc1cccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is QCEYSMAZGGLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-3-2-10-25-21(14)24-20(16-5-7-17(26)8-6-16)22(25)23-12-15-4-9-18-19(11-15)28-13-27-18/h2-11,23,26H,12-13H2,1H3.
What are the key properties of 4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(1,3-benzodioxol-5-ylmethylamino)-8-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)-8-methylimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 3205771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).