3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

C19H27N3O2 — CID 111969522

IUPAC3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1cn3cc(C)ccc3n1)CC2
InChIInChI=1S/C19H27N3O2/c1-3-24-17-10-16(23)19(17)6-8-21(9-7-19)12-15-13-22-11-14(2)4-5-18(22)20-15/h4-5,11,13,16-17,23H,3,6-10,12H2,1-2H3
InChIKeyVLXIQWFLCJZOHU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.39
Rot. Bonds4

About 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111969522) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID111969522
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1cn3cc(C)ccc3n1)CC2
InChIInChI=1S/C19H27N3O2/c1-3-24-17-10-16(23)19(17)6-8-21(9-7-19)12-15-13-22-11-14(2)4-5-18(22)20-15/h4-5,11,13,16-17,23H,3,6-10,12H2,1-2H3
InChIKeyVLXIQWFLCJZOHU-UHFFFAOYSA-N
XLogP2.39
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol (CID 111969522) is 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1cn3cc(C)ccc3n1)CC2.
What is the InChIKey of 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is VLXIQWFLCJZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-24-17-10-16(23)19(17)6-8-21(9-7-19)12-15-13-22-11-14(2)4-5-18(22)20-15/h4-5,11,13,16-17,23H,3,6-10,12H2,1-2H3.
What are the key properties of 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111969522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).