propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate

C19H24BrN3O2 — CID 138733398

IUPACpropan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2c(Br)ccn12)N1CCNCC1
InChIInChI=1S/C19H24BrN3O2/c1-12(2)25-19(24)15-11-17-16(20)5-8-23(17)18(13(15)3)14(4)22-9-6-21-7-10-22/h5,8,11-12,21H,4,6-7,9-10H2,1-3H3
InChIKeyBZDSWPYGAPWLAP-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.45
Rot. Bonds4

About propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate

propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate (PubChem CID 138733398) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate
PubChem CID138733398
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Namepropan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2c(Br)ccn12)N1CCNCC1
InChIInChI=1S/C19H24BrN3O2/c1-12(2)25-19(24)15-11-17-16(20)5-8-23(17)18(13(15)3)14(4)22-9-6-21-7-10-22/h5,8,11-12,21H,4,6-7,9-10H2,1-3H3
InChIKeyBZDSWPYGAPWLAP-UHFFFAOYSA-N
XLogP3.45
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate (CID 138733398) is propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OC(C)C)cc2c(Br)ccn12)N1CCNCC1.
What is the InChIKey of propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate?
The InChIKey is BZDSWPYGAPWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-12(2)25-19(24)15-11-17-16(20)5-8-23(17)18(13(15)3)14(4)22-9-6-21-7-10-22/h5,8,11-12,21H,4,6-7,9-10H2,1-3H3.
What are the key properties of propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate?
propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate has a molecular weight of 406.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate is sourced from PubChem (CID 138733398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).