(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C20H16F3N5O — CID 44624882

IUPAC(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOC[C@H](Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1)c1ccccc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)14-8-9-16(25-15(11-29)12-5-2-1-3-6-12)26-18(14)17-13-7-4-10-24-19(13)28-27-17/h1-10,15,29H,11H2,(H,25,26)(H,24,27,28)/t15-/m0/s1
InChIKeyQJIAWGYAPFFHSD-HNNXBMFYSA-N
MW399.38 g/mol
LogP4.18
Rot. Bonds5

About (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol

(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 44624882) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID44624882
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOC[C@H](Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1)c1ccccc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)14-8-9-16(25-15(11-29)12-5-2-1-3-6-12)26-18(14)17-13-7-4-10-24-19(13)28-27-17/h1-10,15,29H,11H2,(H,25,26)(H,24,27,28)/t15-/m0/s1
InChIKeyQJIAWGYAPFFHSD-HNNXBMFYSA-N
XLogP4.18
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 44624882) is (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OC[C@H](Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is QJIAWGYAPFFHSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)14-8-9-16(25-15(11-29)12-5-2-1-3-6-12)26-18(14)17-13-7-4-10-24-19(13)28-27-17/h1-10,15,29H,11H2,(H,25,26)(H,24,27,28)/t15-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
(2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 399.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 44624882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).