methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate

C20H18N2O4 — CID 90692944

IUPACmethyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3=COC=C(CC4=CC=CCC4)O3)cn2c1
InChIInChI=1S/C20H18N2O4/c1-24-20(23)15-7-8-19-21-17(11-22(19)10-15)18-13-25-12-16(26-18)9-14-5-3-2-4-6-14/h2-3,5,7-8,10-13H,4,6,9H2,1H3
InChIKeyRMWGNLBDMYXCSW-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.97
Rot. Bonds4

About methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 90692944) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID90692944
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3=COC=C(CC4=CC=CCC4)O3)cn2c1
InChIInChI=1S/C20H18N2O4/c1-24-20(23)15-7-8-19-21-17(11-22(19)10-15)18-13-25-12-16(26-18)9-14-5-3-2-4-6-14/h2-3,5,7-8,10-13H,4,6,9H2,1H3
InChIKeyRMWGNLBDMYXCSW-UHFFFAOYSA-N
XLogP3.97
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

N-[5-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]prop-2-enamide
CID 91045952
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
6-methoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83837508
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
methyl 2-heptan-4-ylimidazo[1,2-a]pyridine-6-carboxylate
CID 175739428
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 59273999
methyl 2-(piperidin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117130008
methyl 2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117130150
methyl 2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256129
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 90692944) is methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3=COC=C(CC4=CC=CCC4)O3)cn2c1.
What is the InChIKey of methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is RMWGNLBDMYXCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-20(23)15-7-8-19-21-17(11-22(19)10-15)18-13-25-12-16(26-18)9-14-5-3-2-4-6-14/h2-3,5,7-8,10-13H,4,6,9H2,1H3.
What are the key properties of methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 90692944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).