methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

C18H23N3O3 — CID 136530911

IUPACmethyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CN3CCOCC4(CCC4)C3)nc12
InChIInChI=1S/C18H23N3O3/c1-23-17(22)15-4-2-7-21-11-14(19-16(15)21)10-20-8-9-24-13-18(12-20)5-3-6-18/h2,4,7,11H,3,5-6,8-10,12-13H2,1H3
InChIKeyJITPDYRTBNKMQM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 136530911) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID136530911
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(CN3CCOCC4(CCC4)C3)nc12
InChIInChI=1S/C18H23N3O3/c1-23-17(22)15-4-2-7-21-11-14(19-16(15)21)10-20-8-9-24-13-18(12-20)5-3-6-18/h2,4,7,11H,3,5-6,8-10,12-13H2,1H3
InChIKeyJITPDYRTBNKMQM-UHFFFAOYSA-N
XLogP2.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 5-(5-oxa-8-azaspiro[2.6]nonan-8-ylmethyl)-1,2-oxazole-4-carboxylate
CID 167771922
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 78836239
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63148611
(6S)-2-ethyl-8-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95861391
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-3-carboxylate
CID 115670474

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 136530911) is methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(CN3CCOCC4(CCC4)C3)nc12.
What is the InChIKey of methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is JITPDYRTBNKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-17(22)15-4-2-7-21-11-14(19-16(15)21)10-20-8-9-24-13-18(12-20)5-3-6-18/h2,4,7,11H,3,5-6,8-10,12-13H2,1H3.
What are the key properties of methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 136530911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).