LFIZKTLQYJDDBF-UHFFFAOYSA-N

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

C₂₁H₂₀F₃N₃O₂ — CID 118872313

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

IUPAC(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

SMILESCOc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1

InChIInChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26)

InChIKeyLFIZKTLQYJDDBF-UHFFFAOYSA-N

MW403.40 g/mol

LogP4.61

Rot. Bonds3

About LFIZKTLQYJDDBF-UHFFFAOYSA-N

LFIZKTLQYJDDBF-UHFFFAOYSA-N (PubChem CID 118872313) has the molecular formula C₂₁H₂₀F₃N₃O₂ and a molecular weight of 403.40 g/mol. Its IUPAC name is (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name	LFIZKTLQYJDDBF-UHFFFAOYSA-N
PubChem CID	118872313
Molecular Formula	C₂₁H₂₀F₃N₃O₂
Molecular Weight	403.40 g/mol
Exact Mass	403.15
IUPAC Name	(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILES	COc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1
InChI	InChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26)
InChIKey	LFIZKTLQYJDDBF-UHFFFAOYSA-N
XLogP	4.61
TPSA	58.22 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of LFIZKTLQYJDDBF-UHFFFAOYSA-N (CID 118872313) is (5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

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

The canonical SMILES for LFIZKTLQYJDDBF-UHFFFAOYSA-N is COc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.

What is the InChIKey of LFIZKTLQYJDDBF-UHFFFAOYSA-N?

The InChIKey is LFIZKTLQYJDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,26).

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

LFIZKTLQYJDDBF-UHFFFAOYSA-N has a molecular weight of 403.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LFIZKTLQYJDDBF-UHFFFAOYSA-N is sourced from PubChem (CID 118872313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118872313 — identifiers, structure, computed properties (public domain)

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