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

C21H14F2N10O2 — CID 155371223

IUPAC2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29)
InChIKeyQYOQJRWDIJNFKL-UHFFFAOYSA-N
MW476.41 g/mol
LogP2.66
Rot. Bonds6

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

2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 155371223) has the molecular formula C21H14F2N10O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID155371223
Molecular FormulaC21H14F2N10O2
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29)
InChIKeyQYOQJRWDIJNFKL-UHFFFAOYSA-N
XLogP2.66
TPSA147.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-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 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 155371223) is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12.
What is the InChIKey of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is QYOQJRWDIJNFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29).
What are the key properties of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 476.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(1,3-oxazol-2-yl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155371223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).