2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C25H27F3N8O3 — CID 155231961

IUPAC2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38)
InChIKeyKLAJFBTVNUFDQG-UHFFFAOYSA-N
MW544.54 g/mol
LogP2.72
Rot. Bonds7

About 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155231961) has the molecular formula C25H27F3N8O3 and a molecular weight of 544.54 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155231961
Molecular FormulaC25H27F3N8O3
Molecular Weight544.54 g/mol
Exact Mass544.22
IUPAC Name2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38)
InChIKeyKLAJFBTVNUFDQG-UHFFFAOYSA-N
XLogP2.72
TPSA145.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.54
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155231961) is 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is KLAJFBTVNUFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38).
What are the key properties of 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 544.54 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxypropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155231961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).