BHKAARNFDMVAKX-UHFFFAOYSA-N

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

C₂₅H₂₅F₄N₅O — CID 123868521

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

IUPAC(2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1F

InChIInChI=1S/C25H25F4N5O/c1-15-5-3-12-34(19(15)14-33-20-9-7-17(13-32-20)25(27,28)29)24(35)21-18(8-6-16(2)22(21)26)23-30-10-4-11-31-23/h4,6-11,13,15,19H,3,5,12,14H2,1-2H3,(H,32,33)

InChIKeyBHKAARNFDMVAKX-UHFFFAOYSA-N

MW487.50 g/mol

LogP5.36

Rot. Bonds5

About BHKAARNFDMVAKX-UHFFFAOYSA-N

BHKAARNFDMVAKX-UHFFFAOYSA-N (PubChem CID 123868521) has the molecular formula C₂₅H₂₅F₄N₅O and a molecular weight of 487.50 g/mol. Its IUPAC name is (2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name	BHKAARNFDMVAKX-UHFFFAOYSA-N
PubChem CID	123868521
Molecular Formula	C₂₅H₂₅F₄N₅O
Molecular Weight	487.50 g/mol
Exact Mass	487.20
IUPAC Name	(2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILES	Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1F
InChI	InChI=1S/C25H25F4N5O/c1-15-5-3-12-34(19(15)14-33-20-9-7-17(13-32-20)25(27,28)29)24(35)21-18(8-6-16(2)22(21)26)23-30-10-4-11-31-23/h4,6-11,13,15,19H,3,5,12,14H2,1-2H3,(H,32,33)
InChIKey	BHKAARNFDMVAKX-UHFFFAOYSA-N
XLogP	5.36
TPSA	71.01 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of BHKAARNFDMVAKX-UHFFFAOYSA-N (CID 123868521) is (2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for BHKAARNFDMVAKX-UHFFFAOYSA-N is Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(C)C2CNc2ccc(C(F)(F)F)cn2)c1F.

What is the InChIKey of BHKAARNFDMVAKX-UHFFFAOYSA-N?

The InChIKey is BHKAARNFDMVAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5O/c1-15-5-3-12-34(19(15)14-33-20-9-7-17(13-32-20)25(27,28)29)24(35)21-18(8-6-16(2)22(21)26)23-30-10-4-11-31-23/h4,6-11,13,15,19H,3,5,12,14H2,1-2H3,(H,32,33).

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

BHKAARNFDMVAKX-UHFFFAOYSA-N has a molecular weight of 487.50 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for BHKAARNFDMVAKX-UHFFFAOYSA-N is sourced from PubChem (CID 123868521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123868521 — identifiers, structure, computed properties (public domain)

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