(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

C18H20F3N5O — CID 44624447

IUPAC(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C18H20F3N5O/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-23-17(12)26-25-15/h3-7,10-11H,8-9,22H2,1-2H3,(H,23,25,26)/t11-/m1/s1
InChIKeyLXRXKLUQYVQOSF-LLVKDONJSA-N
MW379.39 g/mol
LogP3.79
Rot. Bonds6

About (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (PubChem CID 44624447) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
PubChem CID44624447
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C18H20F3N5O/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-23-17(12)26-25-15/h3-7,10-11H,8-9,22H2,1-2H3,(H,23,25,26)/t11-/m1/s1
InChIKeyLXRXKLUQYVQOSF-LLVKDONJSA-N
XLogP3.79
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (CID 44624447) is (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is CC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The InChIKey is LXRXKLUQYVQOSF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)16(24-14)15-12-4-3-7-23-17(12)26-25-15/h3-7,10-11H,8-9,22H2,1-2H3,(H,23,25,26)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
(2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine has a molecular weight of 379.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 44624447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).