DWRUKLUSMYGBCW-UHFFFAOYSA-N

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

C₂₀H₁₃F₃N₈O₂ — CID 155210502

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

IUPAC8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

SMILESNc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3ncccc3F)nn12

InChIInChI=1S/C20H13F3N8O2/c21-11-2-1-4-25-12(11)9-13-28-17-15(10-3-5-26-14(8-10)33-19(22)23)16(18-27-6-7-32-18)29-20(24)31(17)30-13/h1-8,19H,9H2,(H2,24,29)

InChIKeyDWRUKLUSMYGBCW-UHFFFAOYSA-N

MW454.37 g/mol

LogP3.15

Rot. Bonds6

About DWRUKLUSMYGBCW-UHFFFAOYSA-N

DWRUKLUSMYGBCW-UHFFFAOYSA-N (PubChem CID 155210502) has the molecular formula C₂₀H₁₃F₃N₈O₂ and a molecular weight of 454.37 g/mol. Its IUPAC name is 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name	DWRUKLUSMYGBCW-UHFFFAOYSA-N
PubChem CID	155210502
Molecular Formula	C₂₀H₁₃F₃N₈O₂
Molecular Weight	454.37 g/mol
Exact Mass	454.11
IUPAC Name	8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILES	Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3ncccc3F)nn12
InChI	InChI=1S/C20H13F3N8O2/c21-11-2-1-4-25-12(11)9-13-28-17-15(10-3-5-26-14(8-10)33-19(22)23)16(18-27-6-7-32-18)29-20(24)31(17)30-13/h1-8,19H,9H2,(H2,24,29)
InChIKey	DWRUKLUSMYGBCW-UHFFFAOYSA-N
XLogP	3.15
TPSA	130.14 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.37
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of DWRUKLUSMYGBCW-UHFFFAOYSA-N (CID 155210502) is 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

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

The canonical SMILES for DWRUKLUSMYGBCW-UHFFFAOYSA-N is Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3ncccc3F)nn12.

What is the InChIKey of DWRUKLUSMYGBCW-UHFFFAOYSA-N?

The InChIKey is DWRUKLUSMYGBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N8O2/c21-11-2-1-4-25-12(11)9-13-28-17-15(10-3-5-26-14(8-10)33-19(22)23)16(18-27-6-7-32-18)29-20(24)31(17)30-13/h1-8,19H,9H2,(H2,24,29).

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

DWRUKLUSMYGBCW-UHFFFAOYSA-N has a molecular weight of 454.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for DWRUKLUSMYGBCW-UHFFFAOYSA-N is sourced from PubChem (CID 155210502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155210502 — identifiers, structure, computed properties (public domain)

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