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

C20H13F3N8O2 — CID 155210502

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 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

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 (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 Name8-[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
PubChem CID155210502
Molecular FormulaC20H13F3N8O2
Molecular Weight454.37 g/mol
Exact Mass454.11
IUPAC Name8-[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
XLogP3.15
TPSA130.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (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 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?
The canonical SMILES for 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 is Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 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?
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 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?
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 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 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 is sourced from PubChem (CID 155210502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).