BQNKLHRVLKMLDX-UHFFFAOYSA-N

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

C₂₉H₃₂F₃N₅O — CID 134329711

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

IUPAC1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5ccc(C(F)(F)F)n5)CC4)cc3c2C(C)C)cc(C)n1

InChIInChI=1S/C29H32F3N5O/c1-17(2)27-23-15-21(5-6-24(23)34-28(27)22-13-18(3)33-19(4)14-22)20-7-10-36(11-8-20)26(38)16-37-12-9-25(35-37)29(30,31)32/h5-6,9,12-15,17,20,34H,7-8,10-11,16H2,1-4H3

InChIKeyBQNKLHRVLKMLDX-UHFFFAOYSA-N

MW523.60 g/mol

LogP6.59

Rot. Bonds5

About BQNKLHRVLKMLDX-UHFFFAOYSA-N

BQNKLHRVLKMLDX-UHFFFAOYSA-N (PubChem CID 134329711) has the molecular formula C₂₉H₃₂F₃N₅O and a molecular weight of 523.60 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name	BQNKLHRVLKMLDX-UHFFFAOYSA-N
PubChem CID	134329711
Molecular Formula	C₂₉H₃₂F₃N₅O
Molecular Weight	523.60 g/mol
Exact Mass	523.26
IUPAC Name	1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILES	Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5ccc(C(F)(F)F)n5)CC4)cc3c2C(C)C)cc(C)n1
InChI	InChI=1S/C29H32F3N5O/c1-17(2)27-23-15-21(5-6-24(23)34-28(27)22-13-18(3)33-19(4)14-22)20-7-10-36(11-8-20)26(38)16-37-12-9-25(35-37)29(30,31)32/h5-6,9,12-15,17,20,34H,7-8,10-11,16H2,1-4H3
InChIKey	BQNKLHRVLKMLDX-UHFFFAOYSA-N
XLogP	6.59
TPSA	66.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of BQNKLHRVLKMLDX-UHFFFAOYSA-N (CID 134329711) is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

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

The canonical SMILES for BQNKLHRVLKMLDX-UHFFFAOYSA-N is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)Cn5ccc(C(F)(F)F)n5)CC4)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of BQNKLHRVLKMLDX-UHFFFAOYSA-N?

The InChIKey is BQNKLHRVLKMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O/c1-17(2)27-23-15-21(5-6-24(23)34-28(27)22-13-18(3)33-19(4)14-22)20-7-10-36(11-8-20)26(38)16-37-12-9-25(35-37)29(30,31)32/h5-6,9,12-15,17,20,34H,7-8,10-11,16H2,1-4H3.

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

BQNKLHRVLKMLDX-UHFFFAOYSA-N has a molecular weight of 523.60 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for BQNKLHRVLKMLDX-UHFFFAOYSA-N is sourced from PubChem (CID 134329711), 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 134329711 — identifiers, structure, computed properties (public domain)

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