ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate

C21H27N5O2 — CID 118573149

IUPACethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccn(CCN2CCN(C)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-3-28-21(27)18-16-17-6-4-5-8-26(17)20(18)19-7-9-25(22-19)15-14-24-12-10-23(2)11-13-24/h4-9,16H,3,10-15H2,1-2H3
InChIKeyPMBGPGBRGGXSEW-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.23
Rot. Bonds6

About ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate

ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate (PubChem CID 118573149) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate
PubChem CID118573149
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Nameethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccn(CCN2CCN(C)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-3-28-21(27)18-16-17-6-4-5-8-26(17)20(18)19-7-9-25(22-19)15-14-24-12-10-23(2)11-13-24/h4-9,16H,3,10-15H2,1-2H3
InChIKeyPMBGPGBRGGXSEW-UHFFFAOYSA-N
XLogP2.23
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 7-ethyl-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylate
CID 71173992
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
ethyl 2-[2-(4-acetylpiperazin-1-yl)ethyl]benzoate
CID 54278341
ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
tert-butyl 9-[(2-ethoxycarbonylindolizin-3-yl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 118573030
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011
ethyl 3-[2-(4-benzylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 142648033
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The IUPAC name of ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate (CID 118573149) is ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1ccn(CCN2CCN(C)CC2)n1.
What is the InChIKey of ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The InChIKey is PMBGPGBRGGXSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-28-21(27)18-16-17-6-4-5-8-26(17)20(18)19-7-9-25(22-19)15-14-24-12-10-23(2)11-13-24/h4-9,16H,3,10-15H2,1-2H3.
What are the key properties of ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizine-2-carboxylate is sourced from PubChem (CID 118573149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).