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

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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).