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

C21H13F4N7O2 — CID 155210441

IUPAC8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)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(Cc3c(F)cccc3F)nn12
InChIInChI=1S/C21H13F4N7O2/c22-12-2-1-3-13(23)11(12)9-14-29-18-16(10-4-5-27-15(8-10)34-20(24)25)17(19-28-6-7-33-19)30-21(26)32(18)31-14/h1-8,20H,9H2,(H2,26,30)
InChIKeyKYYWDRHHODWIJU-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.89
Rot. Bonds6

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

8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 155210441) has the molecular formula C21H13F4N7O2 and a molecular weight of 471.37 g/mol. Its IUPAC name is 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)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-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID155210441
Molecular FormulaC21H13F4N7O2
Molecular Weight471.37 g/mol
Exact Mass471.11
IUPAC Name8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)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(Cc3c(F)cccc3F)nn12
InChIInChI=1S/C21H13F4N7O2/c22-12-2-1-3-13(23)11(12)9-14-29-18-16(10-4-5-27-15(8-10)34-20(24)25)17(19-28-6-7-33-19)30-21(26)32(18)31-14/h1-8,20H,9H2,(H2,26,30)
InChIKeyKYYWDRHHODWIJU-UHFFFAOYSA-N
XLogP3.89
TPSA117.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 1102034
CID 1102034
CID 1164916
CID 1164916
CID 1223566
CID 1223566
CID 44568316
CID 44568316
CID 1259765
CID 1259765
CID 17020671
CID 17020671
CID 651382
CID 651382
CID 654073
CID 654073
CID 1043228
CID 1043228
CID 1100808
CID 1100808
CID 1111054
CID 1111054
CID 1164940
CID 1164940

Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)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-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 155210441) is 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)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-[(2,6-difluorophenyl)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-[(2,6-difluorophenyl)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(Cc3c(F)cccc3F)nn12.
What is the InChIKey of 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is KYYWDRHHODWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N7O2/c22-12-2-1-3-13(23)11(12)9-14-29-18-16(10-4-5-27-15(8-10)34-20(24)25)17(19-28-6-7-33-19)30-21(26)32(18)31-14/h1-8,20H,9H2,(H2,26,30).
What are the key properties of 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 471.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(difluoromethoxy)-4-pyridinyl]-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155210441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).