YUYKHKFYONVFCF-UHFFFAOYSA-N

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

C₂₁H₁₄F₄N₄O — CID 25026270

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

IUPAC4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-3-(trifluoromethyl)benzamide

SMILESO=C(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)c(C(F)(F)F)c1

InChIInChI=1S/C21H14F4N4O/c22-17-5-4-13(9-16(17)21(23,24)25)20(30)29-18-6-3-12(10-27-18)8-14-11-28-19-15(14)2-1-7-26-19/h1-7,9-11H,8H2,(H,26,28)(H,27,29,30)

InChIKeyYUYKHKFYONVFCF-UHFFFAOYSA-N

MW414.36 g/mol

LogP4.96

Rot. Bonds4

About YUYKHKFYONVFCF-UHFFFAOYSA-N

YUYKHKFYONVFCF-UHFFFAOYSA-N (PubChem CID 25026270) has the molecular formula C₂₁H₁₄F₄N₄O and a molecular weight of 414.36 g/mol. Its IUPAC name is 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name	YUYKHKFYONVFCF-UHFFFAOYSA-N
PubChem CID	25026270
Molecular Formula	C₂₁H₁₄F₄N₄O
Molecular Weight	414.36 g/mol
Exact Mass	414.11
IUPAC Name	4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-3-(trifluoromethyl)benzamide
SMILES	O=C(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)c(C(F)(F)F)c1
InChI	InChI=1S/C21H14F4N4O/c22-17-5-4-13(9-16(17)21(23,24)25)20(30)29-18-6-3-12(10-27-18)8-14-11-28-19-15(14)2-1-7-26-19/h1-7,9-11H,8H2,(H,26,28)(H,27,29,30)
InChIKey	YUYKHKFYONVFCF-UHFFFAOYSA-N
XLogP	4.96
TPSA	70.67 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.36
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of YUYKHKFYONVFCF-UHFFFAOYSA-N (CID 25026270) is 4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for YUYKHKFYONVFCF-UHFFFAOYSA-N is O=C(Nc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)c(C(F)(F)F)c1.

What is the InChIKey of YUYKHKFYONVFCF-UHFFFAOYSA-N?

The InChIKey is YUYKHKFYONVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-17-5-4-13(9-16(17)21(23,24)25)20(30)29-18-6-3-12(10-27-18)8-14-11-28-19-15(14)2-1-7-26-19/h1-7,9-11H,8H2,(H,26,28)(H,27,29,30).

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

YUYKHKFYONVFCF-UHFFFAOYSA-N has a molecular weight of 414.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for YUYKHKFYONVFCF-UHFFFAOYSA-N is sourced from PubChem (CID 25026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 25026270 — identifiers, structure, computed properties (public domain)

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