QIDSOPRPFNFFEC-UHFFFAOYSA-N

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

C₂₂H₁₇F₄N₅O₃ — CID 118233803

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

IUPACN-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

SMILESO=C(Nc1ccnc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1

InChIInChI=1S/C22H17F4N5O3/c23-16-9-13(29-21(33)30-14-5-7-27-18(10-14)22(24,25)26)3-4-17(16)34-15-6-8-28-19(11-15)31-20(32)12-1-2-12/h3-12H,1-2H2,(H,28,31,32)(H2,27,29,30,33)

InChIKeyQIDSOPRPFNFFEC-UHFFFAOYSA-N

MW475.40 g/mol

LogP5.42

Rot. Bonds6

About QIDSOPRPFNFFEC-UHFFFAOYSA-N

QIDSOPRPFNFFEC-UHFFFAOYSA-N (PubChem CID 118233803) has the molecular formula C₂₂H₁₇F₄N₅O₃ and a molecular weight of 475.40 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name	QIDSOPRPFNFFEC-UHFFFAOYSA-N
PubChem CID	118233803
Molecular Formula	C₂₂H₁₇F₄N₅O₃
Molecular Weight	475.40 g/mol
Exact Mass	475.13
IUPAC Name	N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILES	O=C(Nc1ccnc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1
InChI	InChI=1S/C22H17F4N5O3/c23-16-9-13(29-21(33)30-14-5-7-27-18(10-14)22(24,25)26)3-4-17(16)34-15-6-8-28-19(11-15)31-20(32)12-1-2-12/h3-12H,1-2H2,(H,28,31,32)(H2,27,29,30,33)
InChIKey	QIDSOPRPFNFFEC-UHFFFAOYSA-N
XLogP	5.42
TPSA	105.24 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.40
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of QIDSOPRPFNFFEC-UHFFFAOYSA-N (CID 118233803) is N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for QIDSOPRPFNFFEC-UHFFFAOYSA-N is O=C(Nc1ccnc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.

What is the InChIKey of QIDSOPRPFNFFEC-UHFFFAOYSA-N?

The InChIKey is QIDSOPRPFNFFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O3/c23-16-9-13(29-21(33)30-14-5-7-27-18(10-14)22(24,25)26)3-4-17(16)34-15-6-8-28-19(11-15)31-20(32)12-1-2-12/h3-12H,1-2H2,(H,28,31,32)(H2,27,29,30,33).

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

QIDSOPRPFNFFEC-UHFFFAOYSA-N has a molecular weight of 475.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for QIDSOPRPFNFFEC-UHFFFAOYSA-N is sourced from PubChem (CID 118233803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118233803 — identifiers, structure, computed properties (public domain)

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