8-[2-(difluoromethoxy)-6-methyl-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H15F3N8O2 — CID 155210450

IUPAC8-[2-(difluoromethoxy)-6-methyl-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(OC(F)F)n1
InChIInChI=1S/C21H15F3N8O2/c1-10-7-11(8-15(28-10)34-20(23)24)16-17(19-27-5-6-33-19)30-21(25)32-18(16)29-14(31-32)9-13-12(22)3-2-4-26-13/h2-8,20H,9H2,1H3,(H2,25,30)
InChIKeyASACDLYYJADSAX-UHFFFAOYSA-N
MW468.40 g/mol
LogP3.46
Rot. Bonds6

About 8-[2-(difluoromethoxy)-6-methyl-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)-6-methyl-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 155210450) has the molecular formula C21H15F3N8O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 8-[2-(difluoromethoxy)-6-methyl-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)-6-methyl-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 CID155210450
Molecular FormulaC21H15F3N8O2
Molecular Weight468.40 g/mol
Exact Mass468.13
IUPAC Name8-[2-(difluoromethoxy)-6-methyl-4-pyridinyl]-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(OC(F)F)n1
InChIInChI=1S/C21H15F3N8O2/c1-10-7-11(8-15(28-10)34-20(23)24)16-17(19-27-5-6-33-19)30-21(25)32-18(16)29-14(31-32)9-13-12(22)3-2-4-26-13/h2-8,20H,9H2,1H3,(H2,25,30)
InChIKeyASACDLYYJADSAX-UHFFFAOYSA-N
XLogP3.46
TPSA130.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[2-(difluoromethoxy)-6-methyl-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)-6-methyl-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)-6-methyl-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 155210450) is 8-[2-(difluoromethoxy)-6-methyl-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)-6-methyl-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)-6-methyl-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 Cc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4ncccc4F)nc23)cc(OC(F)F)n1.
What is the InChIKey of 8-[2-(difluoromethoxy)-6-methyl-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 ASACDLYYJADSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N8O2/c1-10-7-11(8-15(28-10)34-20(23)24)16-17(19-27-5-6-33-19)30-21(25)32-18(16)29-14(31-32)9-13-12(22)3-2-4-26-13/h2-8,20H,9H2,1H3,(H2,25,30).
What are the key properties of 8-[2-(difluoromethoxy)-6-methyl-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)-6-methyl-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 468.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(difluoromethoxy)-6-methyl-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 155210450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).