LAVLZQNQFFTQDT-UHFFFAOYSA-N

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

C₂₁H₂₃ClF₃N₃O — CID 18001618

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

IUPAC7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine

SMILESCCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC

InChIInChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3

InChIKeyLAVLZQNQFFTQDT-UHFFFAOYSA-N

MW425.88 g/mol

LogP6.32

Rot. Bonds7

About LAVLZQNQFFTQDT-UHFFFAOYSA-N

LAVLZQNQFFTQDT-UHFFFAOYSA-N (PubChem CID 18001618) has the molecular formula C₂₁H₂₃ClF₃N₃O and a molecular weight of 425.88 g/mol. Its IUPAC name is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name	LAVLZQNQFFTQDT-UHFFFAOYSA-N
PubChem CID	18001618
Molecular Formula	C₂₁H₂₃ClF₃N₃O
Molecular Weight	425.88 g/mol
Exact Mass	425.15
IUPAC Name	7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine
SMILES	CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC
InChI	InChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3
InChIKey	LAVLZQNQFFTQDT-UHFFFAOYSA-N
XLogP	6.32
TPSA	39.94 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.88
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of LAVLZQNQFFTQDT-UHFFFAOYSA-N (CID 18001618) is 7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-(1-methoxypentan-3-yl)imidazo[4,5-b]pyridine.

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

The canonical SMILES for LAVLZQNQFFTQDT-UHFFFAOYSA-N is CCc1nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc2n1C(CC)CCOC.

What is the InChIKey of LAVLZQNQFFTQDT-UHFFFAOYSA-N?

The InChIKey is LAVLZQNQFFTQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O/c1-4-14(9-11-29-3)28-18(5-2)27-19-16(8-10-26-20(19)28)15-7-6-13(12-17(15)22)21(23,24)25/h6-8,10,12,14H,4-5,9,11H2,1-3H3.

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

LAVLZQNQFFTQDT-UHFFFAOYSA-N has a molecular weight of 425.88 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for LAVLZQNQFFTQDT-UHFFFAOYSA-N is sourced from PubChem (CID 18001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 18001618 — identifiers, structure, computed properties (public domain)

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