ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate

C18H18N2O4 — CID 67068219

IUPACethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3
InChIKeyJAOAZKXXMABFRU-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.68
Rot. Bonds5

About ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate

ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate (PubChem CID 67068219) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
PubChem CID67068219
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1
InChIInChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3
InChIKeyJAOAZKXXMABFRU-UHFFFAOYSA-N
XLogP2.68
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(4-fluorophenyl)-6-(hydroxymethyl)indolizine-2-carboxylate
CID 67068218
ethyl 1-(6-methoxy-3-pyridinyl)-6-[[4-(1,1,1-trifluoro-4-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67068233
ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate
CID 121271500
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 1-[5-(hydroxymethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 86692597
ethyl 3-(6-methoxy-3-pyridinyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 67036541
ethyl 8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 178138656
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate (CID 67068219) is ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate is CCOC(=O)c1cn2cc(CO)ccc2c1-c1ccc(OC)nc1.
What is the InChIKey of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
The InChIKey is JAOAZKXXMABFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-24-18(22)14-10-20-9-12(11-21)4-6-15(20)17(14)13-5-7-16(23-2)19-8-13/h4-10,21H,3,11H2,1-2H3.
What are the key properties of ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate?
ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)-1-(6-methoxy-3-pyridinyl)indolizine-2-carboxylate is sourced from PubChem (CID 67068219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).