WEMBDXLNYKPGAQ-PLEWWHCXSA-N

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

C₂₅H₂₆F₃N₅O — CID 129025216

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

IUPAC(5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

SMILESCc1ccc(-c2cncnc2)c(C(=O)N2CCC[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1

InChIInChI=1S/C25H26F3N5O/c1-16-5-7-20(18-11-29-15-30-12-18)21(10-16)24(34)33-9-3-4-17(2)22(33)14-32-23-8-6-19(13-31-23)25(26,27)28/h5-8,10-13,15,17,22H,3-4,9,14H2,1-2H3,(H,31,32)/t17-,22?/m1/s1

InChIKeyWEMBDXLNYKPGAQ-PLEWWHCXSA-N

MW469.51 g/mol

LogP5.22

Rot. Bonds5

About WEMBDXLNYKPGAQ-PLEWWHCXSA-N

WEMBDXLNYKPGAQ-PLEWWHCXSA-N (PubChem CID 129025216) has the molecular formula C₂₅H₂₆F₃N₅O and a molecular weight of 469.51 g/mol. Its IUPAC name is (5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name	WEMBDXLNYKPGAQ-PLEWWHCXSA-N
PubChem CID	129025216
Molecular Formula	C₂₅H₂₆F₃N₅O
Molecular Weight	469.51 g/mol
Exact Mass	469.21
IUPAC Name	(5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILES	Cc1ccc(-c2cncnc2)c(C(=O)N2CCC[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1
InChI	InChI=1S/C25H26F3N5O/c1-16-5-7-20(18-11-29-15-30-12-18)21(10-16)24(34)33-9-3-4-17(2)22(33)14-32-23-8-6-19(13-31-23)25(26,27)28/h5-8,10-13,15,17,22H,3-4,9,14H2,1-2H3,(H,31,32)/t17-,22?/m1/s1
InChIKey	WEMBDXLNYKPGAQ-PLEWWHCXSA-N
XLogP	5.22
TPSA	71.01 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of WEMBDXLNYKPGAQ-PLEWWHCXSA-N?

The IUPAC name of WEMBDXLNYKPGAQ-PLEWWHCXSA-N (CID 129025216) is (5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for WEMBDXLNYKPGAQ-PLEWWHCXSA-N?

The canonical SMILES for WEMBDXLNYKPGAQ-PLEWWHCXSA-N is Cc1ccc(-c2cncnc2)c(C(=O)N2CCC[C@@H](C)C2CNc2ccc(C(F)(F)F)cn2)c1.

What is the InChIKey of WEMBDXLNYKPGAQ-PLEWWHCXSA-N?

The InChIKey is WEMBDXLNYKPGAQ-PLEWWHCXSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-16-5-7-20(18-11-29-15-30-12-18)21(10-16)24(34)33-9-3-4-17(2)22(33)14-32-23-8-6-19(13-31-23)25(26,27)28/h5-8,10-13,15,17,22H,3-4,9,14H2,1-2H3,(H,31,32)/t17-,22?/m1/s1.

What are the key properties of WEMBDXLNYKPGAQ-PLEWWHCXSA-N?

WEMBDXLNYKPGAQ-PLEWWHCXSA-N has a molecular weight of 469.51 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for WEMBDXLNYKPGAQ-PLEWWHCXSA-N is sourced from PubChem (CID 129025216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 129025216 — identifiers, structure, computed properties (public domain)

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