ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate

C26H32N4O3 — CID 155423185

IUPACethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate
SMILESC/C=C(/c1c(C)c(C(=O)OCC)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1
InChIInChI=1S/C26H32N4O3/c1-6-22(29-12-14-32-15-13-29)25-18(3)21(26(31)33-7-2)17-23-20(9-11-30(23)25)19-8-10-27-24(16-19)28(4)5/h6,8-11,16-17H,7,12-15H2,1-5H3/b22-6-
InChIKeyWONMIMVLDBSSHV-HCDFXORVSA-N
MW448.57 g/mol
LogP4.25
Rot. Bonds6

About ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate

ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate (PubChem CID 155423185) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate
PubChem CID155423185
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Nameethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate
SMILESC/C=C(/c1c(C)c(C(=O)OCC)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1
InChIInChI=1S/C26H32N4O3/c1-6-22(29-12-14-32-15-13-29)25-18(3)21(26(31)33-7-2)17-23-20(9-11-30(23)25)19-8-10-27-24(16-19)28(4)5/h6,8-11,16-17H,7,12-15H2,1-5H3/b22-6-
InChIKeyWONMIMVLDBSSHV-HCDFXORVSA-N
XLogP4.25
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate with MolForge

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Related Compounds

ethyl 6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]ethyl]indolizine-7-carboxylate
CID 139475723
ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate
CID 134340988
ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
CID 138733538
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
ethyl 6-methyl-7-(morpholine-4-carbonyl)pyrrolo[1,2-b]pyridazine-5-carboxylate
CID 90461495
ethyl 6-methyl-5-[methyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1-(1H-pyrazol-5-yl)indolizine-7-carboxylate
CID 134340883
ethyl 2-[[4-(morpholine-4-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109082942
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane
CID 142300877
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
propan-2-yl 1-(2-fluoro-4-pyridinyl)-6-methyl-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 175336958

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate?
The IUPAC name of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate (CID 155423185) is ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate.
What is the SMILES notation for ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate?
The canonical SMILES for ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate is C/C=C(/c1c(C)c(C(=O)OCC)cc2c(-c3ccnc(N(C)C)c3)ccn12)N1CCOCC1.
What is the InChIKey of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate?
The InChIKey is WONMIMVLDBSSHV-HCDFXORVSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-6-22(29-12-14-32-15-13-29)25-18(3)21(26(31)33-7-2)17-23-20(9-11-30(23)25)19-8-10-27-24(16-19)28(4)5/h6,8-11,16-17H,7,12-15H2,1-5H3/b22-6-.
What are the key properties of ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate?
ethyl 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate has a molecular weight of 448.57 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 1-[2-(dimethylamino)-4-pyridinyl]-6-methyl-5-[(Z)-1-morpholin-4-ylprop-1-enyl]indolizine-7-carboxylate is sourced from PubChem (CID 155423185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).