2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol

C20H17F4N7O — CID 134517692

IUPAC2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol
SMILESOC(N1CC(c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)n[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H17F4N7O/c21-14-6-2-1-4-11(14)10-31-18-13(5-3-7-25-18)15(29-31)17-26-16(27-28-17)12-8-30(9-12)19(32)20(22,23)24/h1-7,12,19,32H,8-10H2,(H,26,27,28)
InChIKeyJEKFLGXZLFXIJN-UHFFFAOYSA-N
MW447.40 g/mol
LogP2.68
Rot. Bonds5

About 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol

2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol (PubChem CID 134517692) has the molecular formula C20H17F4N7O and a molecular weight of 447.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol
PubChem CID134517692
Molecular FormulaC20H17F4N7O
Molecular Weight447.40 g/mol
Exact Mass447.14
IUPAC Name2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol
SMILESOC(N1CC(c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)n[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H17F4N7O/c21-14-6-2-1-4-11(14)10-31-18-13(5-3-7-25-18)15(29-31)17-26-16(27-28-17)12-8-30(9-12)19(32)20(22,23)24/h1-7,12,19,32H,8-10H2,(H,26,27,28)
InChIKeyJEKFLGXZLFXIJN-UHFFFAOYSA-N
XLogP2.68
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol with MolForge

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Related Compounds

2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanone
CID 134517505
1-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-ol
CID 134499366
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
CID 130250193
1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
CID 130249985
1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 134498648
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 163681818
ethyl 2-[4-chloro-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]acetate
CID 88533824
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 56598243
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CID 66635083
5-cyclopropyl-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-1,2-oxazole
CID 23548206

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol (CID 134517692) is 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol is OC(N1CC(c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)n[nH]2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol?
The InChIKey is JEKFLGXZLFXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N7O/c21-14-6-2-1-4-11(14)10-31-18-13(5-3-7-25-18)15(29-31)17-26-16(27-28-17)12-8-30(9-12)19(32)20(22,23)24/h1-7,12,19,32H,8-10H2,(H,26,27,28).
What are the key properties of 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol?
2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol has a molecular weight of 447.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol is sourced from PubChem (CID 134517692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).