BBASVTKCLOKTEN-UHFFFAOYSA-N

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

C₂₅H₂₉F₃N₄O₂ — CID 126564807

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

IUPAC2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)cn2C

InChIInChI=1S/C25H29F3N4O2/c1-16-8-10-32(11-9-16)24-17(4-7-22(30-24)25(26,27)28)14-29-23(33)12-18-15-31(2)21-6-5-19(34-3)13-20(18)21/h4-7,13,15-16H,8-12,14H2,1-3H3,(H,29,33)

InChIKeyBBASVTKCLOKTEN-UHFFFAOYSA-N

MW474.53 g/mol

LogP4.70

Rot. Bonds6

About BBASVTKCLOKTEN-UHFFFAOYSA-N

BBASVTKCLOKTEN-UHFFFAOYSA-N (PubChem CID 126564807) has the molecular formula C₂₅H₂₉F₃N₄O₂ and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name	BBASVTKCLOKTEN-UHFFFAOYSA-N
PubChem CID	126564807
Molecular Formula	C₂₅H₂₉F₃N₄O₂
Molecular Weight	474.53 g/mol
Exact Mass	474.22
IUPAC Name	2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILES	COc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)cn2C
InChI	InChI=1S/C25H29F3N4O2/c1-16-8-10-32(11-9-16)24-17(4-7-22(30-24)25(26,27)28)14-29-23(33)12-18-15-31(2)21-6-5-19(34-3)13-20(18)21/h4-7,13,15-16H,8-12,14H2,1-3H3,(H,29,33)
InChIKey	BBASVTKCLOKTEN-UHFFFAOYSA-N
XLogP	4.70
TPSA	59.39 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of BBASVTKCLOKTEN-UHFFFAOYSA-N (CID 126564807) is 2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

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

The canonical SMILES for BBASVTKCLOKTEN-UHFFFAOYSA-N is COc1ccc2c(c1)c(CC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)cn2C.

What is the InChIKey of BBASVTKCLOKTEN-UHFFFAOYSA-N?

The InChIKey is BBASVTKCLOKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-16-8-10-32(11-9-16)24-17(4-7-22(30-24)25(26,27)28)14-29-23(33)12-18-15-31(2)21-6-5-19(34-3)13-20(18)21/h4-7,13,15-16H,8-12,14H2,1-3H3,(H,29,33).

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

BBASVTKCLOKTEN-UHFFFAOYSA-N has a molecular weight of 474.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for BBASVTKCLOKTEN-UHFFFAOYSA-N is sourced from PubChem (CID 126564807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126564807 — identifiers, structure, computed properties (public domain)

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