6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid

C21H23N3O3 — CID 139311468

IUPAC6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cccnc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C21H23N3O3/c1-14-19(21(25)26)11-18-10-17(16-4-3-5-22-12-16)13-24(18)20(14)15(2)23-6-8-27-9-7-23/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,26)
InChIKeyYODDQQPEMOWWCN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.40
Rot. Bonds4

About 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid

6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid (PubChem CID 139311468) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
PubChem CID139311468
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cccnc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C21H23N3O3/c1-14-19(21(25)26)11-18-10-17(16-4-3-5-22-12-16)13-24(18)20(14)15(2)23-6-8-27-9-7-23/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,26)
InChIKeyYODDQQPEMOWWCN-UHFFFAOYSA-N
XLogP3.40
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid (CID 139311468) is 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3cccnc3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?
The InChIKey is YODDQQPEMOWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-19(21(25)26)11-18-10-17(16-4-3-5-22-12-16)13-24(18)20(14)15(2)23-6-8-27-9-7-23/h3-5,10-13,15H,6-9H2,1-2H3,(H,25,26).
What are the key properties of 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?
6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid is sourced from PubChem (CID 139311468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).