2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol

C18H19F3N6O — CID 169224886

IUPAC2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3ccnn23)C1
InChIInChI=1S/C18H19F3N6O/c1-26-8-2-3-12(10-26)23-17-25-24-16(14-6-7-22-27(14)17)13-5-4-11(9-15(13)28)18(19,20)21/h4-7,9,12,28H,2-3,8,10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyYFGHHTRWHWGMNP-GFCCVEGCSA-N
MW392.39 g/mol
LogP3.02
Rot. Bonds3

About 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol

2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol (PubChem CID 169224886) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
PubChem CID169224886
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3ccnn23)C1
InChIInChI=1S/C18H19F3N6O/c1-26-8-2-3-12(10-26)23-17-25-24-16(14-6-7-22-27(14)17)13-5-4-11(9-15(13)28)18(19,20)21/h4-7,9,12,28H,2-3,8,10H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyYFGHHTRWHWGMNP-GFCCVEGCSA-N
XLogP3.02
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol (CID 169224886) is 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol is CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3ccnn23)C1.
What is the InChIKey of 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol?
The InChIKey is YFGHHTRWHWGMNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-26-8-2-3-12(10-26)23-17-25-24-16(14-6-7-22-27(14)17)13-5-4-11(9-15(13)28)18(19,20)21/h4-7,9,12,28H,2-3,8,10H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol?
2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol has a molecular weight of 392.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 169224886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).