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-(2,2,2-trifluoroethyl)pyridin-2-one

C28H24F6N8O2 — CID 155231921

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-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1nc2c(-c3ccc(=O)n(CC(F)(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C28H24F6N8O2/c29-27(30,31)15-40-12-18(2-4-23(40)43)21-9-19(13-42-25(21)38-26(35)39-42)20-11-37-41(14-20)24(16-5-7-44-8-6-16)17-1-3-22(36-10-17)28(32,33)34/h1-4,9-14,16,24H,5-8,15H2,(H2,35,39)
InChIKeyOIFBGSFRLNCMIF-UHFFFAOYSA-N
MW618.54 g/mol
LogP5.00
Rot. Bonds6

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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 155231921) has the molecular formula C28H24F6N8O2 and a molecular weight of 618.54 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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID155231921
Molecular FormulaC28H24F6N8O2
Molecular Weight618.54 g/mol
Exact Mass618.19
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-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1nc2c(-c3ccc(=O)n(CC(F)(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C28H24F6N8O2/c29-27(30,31)15-40-12-18(2-4-23(40)43)21-9-19(13-42-25(21)38-26(35)39-42)20-11-37-41(14-20)24(16-5-7-44-8-6-16)17-1-3-22(36-10-17)28(32,33)34/h1-4,9-14,16,24H,5-8,15H2,(H2,35,39)
InChIKeyOIFBGSFRLNCMIF-UHFFFAOYSA-N
XLogP5.00
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.54
LogP ≤ 55.00
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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyridin-2-one (CID 155231921) 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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyridin-2-one is Nc1nc2c(-c3ccc(=O)n(CC(F)(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-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is OIFBGSFRLNCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N8O2/c29-27(30,31)15-40-12-18(2-4-23(40)43)21-9-19(13-42-25(21)38-26(35)39-42)20-11-37-41(14-20)24(16-5-7-44-8-6-16)17-1-3-22(36-10-17)28(32,33)34/h1-4,9-14,16,24H,5-8,15H2,(H2,35,39).
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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 618.54 g/mol, XLogP of 5.00, 6 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-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 155231921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).