7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H22F6N8O — CID 155213502

IUPAC7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(-c3ccnc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C27H22F6N8O/c28-26(29,30)21-2-1-17(12-36-21)24(15-4-7-42-8-5-15)40-14-19(13-37-40)18-9-20(41-23(11-18)38-25(34)39-41)16-3-6-35-22(10-16)27(31,32)33/h1-3,6,9-15,24H,4-5,7-8H2,(H2,34,39)
InChIKeyIQRQAYBZWWJVFS-UHFFFAOYSA-N
MW588.52 g/mol
LogP5.69
Rot. Bonds5

About 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155213502) has the molecular formula C27H22F6N8O and a molecular weight of 588.52 g/mol. Its IUPAC name is 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155213502
Molecular FormulaC27H22F6N8O
Molecular Weight588.52 g/mol
Exact Mass588.18
IUPAC Name7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(-c3ccnc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C27H22F6N8O/c28-26(29,30)21-2-1-17(12-36-21)24(15-4-7-42-8-5-15)40-14-19(13-37-40)18-9-20(41-23(11-18)38-25(34)39-41)16-3-6-35-22(10-16)27(31,32)33/h1-3,6,9-15,24H,4-5,7-8H2,(H2,34,39)
InChIKeyIQRQAYBZWWJVFS-UHFFFAOYSA-N
XLogP5.69
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.52
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155213502) is 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(-c3ccnc(C(F)(F)F)c3)n2n1.
What is the InChIKey of 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IQRQAYBZWWJVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F6N8O/c28-26(29,30)21-2-1-17(12-36-21)24(15-4-7-42-8-5-15)40-14-19(13-37-40)18-9-20(41-23(11-18)38-25(34)39-41)16-3-6-35-22(10-16)27(31,32)33/h1-3,6,9-15,24H,4-5,7-8H2,(H2,34,39).
What are the key properties of 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 588.52 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155213502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).