XHSNDISXYMAHFI-UHFFFAOYSA-N

Name: XHSNDISXYMAHFI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₆N₄O₄ — CID 118573206

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 XHSNDISXYMAHFI-UHFFFAOYSA-N

XHSNDISXYMAHFI-UHFFFAOYSA-N (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 Name	XHSNDISXYMAHFI-UHFFFAOYSA-N
PubChem CID	118573206
Molecular Formula	C₂₀H₂₆N₄O₄
Molecular Weight	386.45 g/mol
Exact Mass	386.20
IUPAC Name	ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate
SMILES	CCOC(=O)c1cc2ccccn2c1-c1ccn(CCN(CCO)CCO)n1
InChI	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
InChIKey	XHSNDISXYMAHFI-UHFFFAOYSA-N
XLogP	1.27
TPSA	92.23 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of XHSNDISXYMAHFI-UHFFFAOYSA-N?

The IUPAC name of XHSNDISXYMAHFI-UHFFFAOYSA-N (CID 118573206) is ethyl 3-[1-[2-[bis(2-hydroxyethyl)amino]ethyl]pyrazol-3-yl]indolizine-2-carboxylate.

What is the SMILES notation for XHSNDISXYMAHFI-UHFFFAOYSA-N?

The canonical SMILES for XHSNDISXYMAHFI-UHFFFAOYSA-N is CCOC(=O)c1cc2ccccn2c1-c1ccn(CCN(CCO)CCO)n1.

What is the InChIKey of XHSNDISXYMAHFI-UHFFFAOYSA-N?

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 XHSNDISXYMAHFI-UHFFFAOYSA-N?

XHSNDISXYMAHFI-UHFFFAOYSA-N 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 XHSNDISXYMAHFI-UHFFFAOYSA-N is sourced from PubChem (CID 118573206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118573206 — identifiers, structure, computed properties (public domain)

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