5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one

C28H25F5N8O2 — CID 155231924

IUPAC5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one
SMILESNc1nc2c(-c3ccc(=O)n(CC(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C28H25F5N8O2/c29-23(30)15-39-12-18(2-4-24(39)42)21-9-19(13-41-26(21)37-27(34)38-41)20-11-36-40(14-20)25(16-5-7-43-8-6-16)17-1-3-22(35-10-17)28(31,32)33/h1-4,9-14,16,23,25H,5-8,15H2,(H2,34,38)
InChIKeyVRKCMUIBLBNFIS-UHFFFAOYSA-N
MW600.55 g/mol
LogP4.70
Rot. Bonds7

About 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one

5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 155231924) has the molecular formula C28H25F5N8O2 and a molecular weight of 600.55 g/mol. Its IUPAC name is 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID155231924
Molecular FormulaC28H25F5N8O2
Molecular Weight600.55 g/mol
Exact Mass600.20
IUPAC Name5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one
SMILESNc1nc2c(-c3ccc(=O)n(CC(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C28H25F5N8O2/c29-23(30)15-39-12-18(2-4-24(39)42)21-9-19(13-41-26(21)37-27(34)38-41)20-11-36-40(14-20)25(16-5-7-43-8-6-16)17-1-3-22(35-10-17)28(31,32)33/h1-4,9-14,16,23,25H,5-8,15H2,(H2,34,38)
InChIKeyVRKCMUIBLBNFIS-UHFFFAOYSA-N
XLogP4.70
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one (CID 155231924) is 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one is Nc1nc2c(-c3ccc(=O)n(CC(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1.
What is the InChIKey of 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is VRKCMUIBLBNFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F5N8O2/c29-23(30)15-39-12-18(2-4-24(39)42)21-9-19(13-41-26(21)37-27(34)38-41)20-11-36-40(14-20)25(16-5-7-43-8-6-16)17-1-3-22(35-10-17)28(31,32)33/h1-4,9-14,16,23,25H,5-8,15H2,(H2,34,38).
What are the key properties of 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one?
5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 600.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 155231924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).