1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride

C24H30Cl3N5O2 — CID 142763442

IUPAC1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2.Cl.Cl
InChIInChI=1S/C24H28ClN5O2.2ClH/c1-26-14-23(31)29-9-7-24(8-10-29)12-17(16-32-24)11-19-3-2-4-20(28-19)21-13-27-22-6-5-18(25)15-30(21)22;;/h2-6,13,15,17,26H,7-12,14,16H2,1H3;2*1H
InChIKeyZVARWPTWMGSBIY-UHFFFAOYSA-N
MW526.90 g/mol
LogP4.05
Rot. Bonds5

About 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride

1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride (PubChem CID 142763442) has the molecular formula C24H30Cl3N5O2 and a molecular weight of 526.90 g/mol. Its IUPAC name is 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride
PubChem CID142763442
Molecular FormulaC24H30Cl3N5O2
Molecular Weight526.90 g/mol
Exact Mass525.15
IUPAC Name1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2.Cl.Cl
InChIInChI=1S/C24H28ClN5O2.2ClH/c1-26-14-23(31)29-9-7-24(8-10-29)12-17(16-32-24)11-19-3-2-4-20(28-19)21-13-27-22-6-5-18(25)15-30(21)22;;/h2-6,13,15,17,26H,7-12,14,16H2,1H3;2*1H
InChIKeyZVARWPTWMGSBIY-UHFFFAOYSA-N
XLogP4.05
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride?
The IUPAC name of 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride (CID 142763442) is 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride is CNCC(=O)N1CCC2(CC1)CC(Cc1cccc(-c3cnc4ccc(Cl)cn34)n1)CO2.Cl.Cl.
What is the InChIKey of 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride?
The InChIKey is ZVARWPTWMGSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2.2ClH/c1-26-14-23(31)29-9-7-24(8-10-29)12-17(16-32-24)11-19-3-2-4-20(28-19)21-13-27-22-6-5-18(25)15-30(21)22;;/h2-6,13,15,17,26H,7-12,14,16H2,1H3;2*1H.
What are the key properties of 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride?
1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride has a molecular weight of 526.90 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(methylamino)ethanone;dihydrochloride is sourced from PubChem (CID 142763442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).