2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C15H14F3N5O — CID 44624808

IUPAC2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C15H14F3N5O/c1-8(7-24)20-11-5-4-10(15(16,17)18)13(21-11)12-9-3-2-6-19-14(9)23-22-12/h2-6,8,24H,7H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyHWMGYVPJJLCRIU-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.83
Rot. Bonds4

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

2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 44624808) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID44624808
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C15H14F3N5O/c1-8(7-24)20-11-5-4-10(15(16,17)18)13(21-11)12-9-3-2-6-19-14(9)23-22-12/h2-6,8,24H,7H2,1H3,(H,20,21)(H,19,22,23)
InChIKeyHWMGYVPJJLCRIU-UHFFFAOYSA-N
XLogP2.83
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 44624808) is 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is CC(CO)Nc1ccc(C(F)(F)F)c(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is HWMGYVPJJLCRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8(7-24)20-11-5-4-10(15(16,17)18)13(21-11)12-9-3-2-6-19-14(9)23-22-12/h2-6,8,24H,7H2,1H3,(H,20,21)(H,19,22,23).
What are the key properties of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 337.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 44624808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).