2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol

C14H12F3N5O — CID 72724831

IUPAC2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2n[nH]c3cnccc23)nc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)
InChIKeyCNTAIQDCYAEVFL-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.44
Rot. Bonds4

About 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol

2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol (PubChem CID 72724831) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol
PubChem CID72724831
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2n[nH]c3cnccc23)nc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)
InChIKeyCNTAIQDCYAEVFL-UHFFFAOYSA-N
XLogP2.44
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol (CID 72724831) is 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol is OCCNc1cc(-c2n[nH]c3cnccc23)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol?
The InChIKey is CNTAIQDCYAEVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol?
2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol has a molecular weight of 323.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-pyrazolo[5,4-c]pyridin-3-yl)-6-(trifluoromethyl)-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 72724831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).