ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate

C20H26N4O4 — CID 118573206

IUPACethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccn(CCN(CCO)CCO)n1
InChIInChI=1S/C20H26N4O4/c1-2-28-20(27)17-15-16-5-3-4-7-24(16)19(17)18-6-8-23(21-18)10-9-22(11-13-25)12-14-26/h3-8,15,25-26H,2,9-14H2,1H3
InChIKeyXHSNDISXYMAHFI-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.27
Rot. Bonds10

About ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate

ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate (PubChem CID 118573206) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate
PubChem CID118573206
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nameethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2ccccn2c1-c1ccn(CCN(CCO)CCO)n1
InChIInChI=1S/C20H26N4O4/c1-2-28-20(27)17-15-16-5-3-4-7-24(16)19(17)18-6-8-23(21-18)10-9-22(11-13-25)12-14-26/h3-8,15,25-26H,2,9-14H2,1H3
InChIKeyXHSNDISXYMAHFI-UHFFFAOYSA-N
XLogP1.27
TPSA92.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The IUPAC name of ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate (CID 118573206) is ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate.
What is the SMILES notation for ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The canonical SMILES for ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1ccn(CCN(CCO)CCO)n1.
What is the InChIKey of ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
The InChIKey is XHSNDISXYMAHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-2-28-20(27)17-15-16-5-3-4-7-24(16)19(17)18-6-8-23(21-18)10-9-22(11-13-25)12-14-26/h3-8,15,25-26H,2,9-14H2,1H3.
What are the key properties of ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate?
ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate is sourced from PubChem (CID 118573206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).