ATNPEQKMJNGYFL-UHFFFAOYSA-N

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

C₂₂H₁₉F₃N₈O₂ — CID 71570107

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

IUPAC4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine

SMILESFC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1

InChIInChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30)

InChIKeyATNPEQKMJNGYFL-UHFFFAOYSA-N

MW484.44 g/mol

LogP3.45

Rot. Bonds6

About ATNPEQKMJNGYFL-UHFFFAOYSA-N

ATNPEQKMJNGYFL-UHFFFAOYSA-N (PubChem CID 71570107) has the molecular formula C₂₂H₁₉F₃N₈O₂ and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name	ATNPEQKMJNGYFL-UHFFFAOYSA-N
PubChem CID	71570107
Molecular Formula	C₂₂H₁₉F₃N₈O₂
Molecular Weight	484.44 g/mol
Exact Mass	484.16
IUPAC Name	4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine
SMILES	FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1
InChI	InChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30)
InChIKey	ATNPEQKMJNGYFL-UHFFFAOYSA-N
XLogP	3.45
TPSA	114.98 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ATNPEQKMJNGYFL-UHFFFAOYSA-N (CID 71570107) is 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine.

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

The canonical SMILES for ATNPEQKMJNGYFL-UHFFFAOYSA-N is FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1.

What is the InChIKey of ATNPEQKMJNGYFL-UHFFFAOYSA-N?

The InChIKey is ATNPEQKMJNGYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30).

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

ATNPEQKMJNGYFL-UHFFFAOYSA-N has a molecular weight of 484.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ATNPEQKMJNGYFL-UHFFFAOYSA-N is sourced from PubChem (CID 71570107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 71570107 — identifiers, structure, computed properties (public domain)

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