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

C20H15F4N7O — CID 134517505

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]ethanone
SMILESO=C(N1CC(c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)n[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H15F4N7O/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/h1-7,12H,8-10H2,(H,26,27,28)
InChIKeyRJRSYVVQAZBPGB-UHFFFAOYSA-N
MW445.38 g/mol
LogP2.89
Rot. Bonds4

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]ethanone

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 (PubChem CID 134517505) has the molecular formula C20H15F4N7O and a molecular weight of 445.38 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]ethanone.

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]ethanone
PubChem CID134517505
Molecular FormulaC20H15F4N7O
Molecular Weight445.38 g/mol
Exact Mass445.13
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]ethanone
SMILESO=C(N1CC(c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)n[nH]2)C1)C(F)(F)F
InChIInChI=1S/C20H15F4N7O/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/h1-7,12H,8-10H2,(H,26,27,28)
InChIKeyRJRSYVVQAZBPGB-UHFFFAOYSA-N
XLogP2.89
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]ethanone 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]ethanol
CID 134517692
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
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
ethyl 5,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
CID 130250193
ethyl 2-[4-chloro-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]acetate
CID 88533824
ethyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 22714274
3-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-oxo-9H-purin-7-yl]azetidine-1-carboxylic acid
CID 90170056
1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 134498648
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CID 66635083

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]ethanone?
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]ethanone (CID 134517505) 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]ethanone.
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]ethanone?
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]ethanone is O=C(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]ethanone?
The InChIKey is RJRSYVVQAZBPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O/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/h1-7,12H,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]ethanone?
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 has a molecular weight of 445.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]ethanone is sourced from PubChem (CID 134517505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).