ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate

C25H32N4O3 — CID 138733538

IUPACethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3nccn3C)cn12)N1CCOCC1
InChIInChI=1S/C25H32N4O3/c1-7-32-25(30)19-14-21-22(16(2)3)20(24-26-8-9-27(24)6)15-29(21)23(17(19)4)18(5)28-10-12-31-13-11-28/h8-9,14-16H,5,7,10-13H2,1-4,6H3
InChIKeyWAFOAGHGWYGAJU-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.25
Rot. Bonds6

About ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate

ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate (PubChem CID 138733538) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
PubChem CID138733538
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Nameethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3nccn3C)cn12)N1CCOCC1
InChIInChI=1S/C25H32N4O3/c1-7-32-25(30)19-14-21-22(16(2)3)20(24-26-8-9-27(24)6)15-29(21)23(17(19)4)18(5)28-10-12-31-13-11-28/h8-9,14-16H,5,7,10-13H2,1-4,6H3
InChIKeyWAFOAGHGWYGAJU-UHFFFAOYSA-N
XLogP4.25
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate with MolForge

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Related Compounds

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate
CID 155423185
ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone
CID 142300590
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030
ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
CID 90461495
propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
CID 175336975
propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate
CID 138733398
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
ethyl 6-bromo-1-(2-morpholin-4-ylethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
CID 87918848
ethyl 5-(1-methylimidazol-2-yl)-1-(oxolan-3-yl)triazole-4-carboxylate
CID 103116687
ethyl 6-(4-hydroxyphenyl)-5-(1-methylimidazol-2-yl)-4-oxopyran-3-carboxylate
CID 171986810
2-hydroxysulfanyl-4-(2-methylimidazol-1-yl)-1-morpholin-4-ylbutan-1-one
CID 91508131

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate?
The IUPAC name of ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate (CID 138733538) is ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3nccn3C)cn12)N1CCOCC1.
What is the InChIKey of ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate?
The InChIKey is WAFOAGHGWYGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-7-32-25(30)19-14-21-22(16(2)3)20(24-26-8-9-27(24)6)15-29(21)23(17(19)4)18(5)28-10-12-31-13-11-28/h8-9,14-16H,5,7,10-13H2,1-4,6H3.
What are the key properties of ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate?
ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate is sourced from PubChem (CID 138733538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).