FGLOBKVIHHDDMW-UHFFFAOYSA-N

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

C₂₁H₂₅F₃N₄O₃ — CID 51040337

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

IUPACethyl 3-propan-2-yl-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate

SMILESCCOC(=O)c1cc2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccn2c1C(C)C

InChIInChI=1S/C21H25F3N4O3/c1-5-20(30,21(22,23)24)17-12-27(26-25-17)11-14-7-8-28-15(9-14)10-16(18(28)13(3)4)19(29)31-6-2/h7-10,12-13,30H,5-6,11H2,1-4H3

InChIKeyFGLOBKVIHHDDMW-UHFFFAOYSA-N

MW438.45 g/mol

LogP4.04

Rot. Bonds7

About FGLOBKVIHHDDMW-UHFFFAOYSA-N

FGLOBKVIHHDDMW-UHFFFAOYSA-N (PubChem CID 51040337) has the molecular formula C₂₁H₂₅F₃N₄O₃ and a molecular weight of 438.45 g/mol. Its IUPAC name is ethyl 3-propan-2-yl-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate.

Molecular Properties

Compound Name	FGLOBKVIHHDDMW-UHFFFAOYSA-N
PubChem CID	51040337
Molecular Formula	C₂₁H₂₅F₃N₄O₃
Molecular Weight	438.45 g/mol
Exact Mass	438.19
IUPAC Name	ethyl 3-propan-2-yl-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
SMILES	CCOC(=O)c1cc2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccn2c1C(C)C
InChI	InChI=1S/C21H25F3N4O3/c1-5-20(30,21(22,23)24)17-12-27(26-25-17)11-14-7-8-28-15(9-14)10-16(18(28)13(3)4)19(29)31-6-2/h7-10,12-13,30H,5-6,11H2,1-4H3
InChIKey	FGLOBKVIHHDDMW-UHFFFAOYSA-N
XLogP	4.04
TPSA	81.65 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of FGLOBKVIHHDDMW-UHFFFAOYSA-N (CID 51040337) is ethyl 3-propan-2-yl-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate.

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

The canonical SMILES for FGLOBKVIHHDDMW-UHFFFAOYSA-N is CCOC(=O)c1cc2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccn2c1C(C)C.

What is the InChIKey of FGLOBKVIHHDDMW-UHFFFAOYSA-N?

The InChIKey is FGLOBKVIHHDDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-5-20(30,21(22,23)24)17-12-27(26-25-17)11-14-7-8-28-15(9-14)10-16(18(28)13(3)4)19(29)31-6-2/h7-10,12-13,30H,5-6,11H2,1-4H3.

What are the key properties of FGLOBKVIHHDDMW-UHFFFAOYSA-N?

FGLOBKVIHHDDMW-UHFFFAOYSA-N has a molecular weight of 438.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for FGLOBKVIHHDDMW-UHFFFAOYSA-N is sourced from PubChem (CID 51040337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 51040337 — identifiers, structure, computed properties (public domain)

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