VXMVRFMATJUUOD-UHFFFAOYSA-N

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

C₂₀H₂₃ClF₃N₅O₂ — CID 118023379

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

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxamide

SMILESCCN(C(=O)C1CCCN(C(=O)CCC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl

InChIInChI=1S/C20H23ClF3N5O2/c1-2-28(16-13-29(26-18(16)21)15-6-3-9-25-11-15)19(31)14-5-4-10-27(12-14)17(30)7-8-20(22,23)24/h3,6,9,11,13-14H,2,4-5,7-8,10,12H2,1H3

InChIKeyVXMVRFMATJUUOD-UHFFFAOYSA-N

MW457.88 g/mol

LogP3.85

Rot. Bonds6

About VXMVRFMATJUUOD-UHFFFAOYSA-N

VXMVRFMATJUUOD-UHFFFAOYSA-N (PubChem CID 118023379) has the molecular formula C₂₀H₂₃ClF₃N₅O₂ and a molecular weight of 457.88 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name	VXMVRFMATJUUOD-UHFFFAOYSA-N
PubChem CID	118023379
Molecular Formula	C₂₀H₂₃ClF₃N₅O₂
Molecular Weight	457.88 g/mol
Exact Mass	457.15
IUPAC Name	N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxamide
SMILES	CCN(C(=O)C1CCCN(C(=O)CCC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl
InChI	InChI=1S/C20H23ClF3N5O2/c1-2-28(16-13-29(26-18(16)21)15-6-3-9-25-11-15)19(31)14-5-4-10-27(12-14)17(30)7-8-20(22,23)24/h3,6,9,11,13-14H,2,4-5,7-8,10,12H2,1H3
InChIKey	VXMVRFMATJUUOD-UHFFFAOYSA-N
XLogP	3.85
TPSA	71.33 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.88
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of VXMVRFMATJUUOD-UHFFFAOYSA-N (CID 118023379) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxamide.

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

The canonical SMILES for VXMVRFMATJUUOD-UHFFFAOYSA-N is CCN(C(=O)C1CCCN(C(=O)CCC(F)(F)F)C1)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of VXMVRFMATJUUOD-UHFFFAOYSA-N?

The InChIKey is VXMVRFMATJUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N5O2/c1-2-28(16-13-29(26-18(16)21)15-6-3-9-25-11-15)19(31)14-5-4-10-27(12-14)17(30)7-8-20(22,23)24/h3,6,9,11,13-14H,2,4-5,7-8,10,12H2,1H3.

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

VXMVRFMATJUUOD-UHFFFAOYSA-N has a molecular weight of 457.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for VXMVRFMATJUUOD-UHFFFAOYSA-N is sourced from PubChem (CID 118023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118023379 — identifiers, structure, computed properties (public domain)

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