tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate

C15H16F3N3O3 — CID 87495431

IUPACtert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(C=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H16F3N3O3/c1-14(2,3)24-13(23)7-19-12-5-4-9(8-22)10-6-11(15(16,17)18)20-21(10)12/h4-6,8,19H,7H2,1-3H3
InChIKeyOGWATHFZSVFIEO-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.92
Rot. Bonds4

About tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate

tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate (PubChem CID 87495431) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate
PubChem CID87495431
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Nametert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate
SMILESCC(C)(C)OC(=O)CNc1ccc(C=O)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H16F3N3O3/c1-14(2,3)24-13(23)7-19-12-5-4-9(8-22)10-6-11(15(16,17)18)20-21(10)12/h4-6,8,19H,7H2,1-3H3
InChIKeyOGWATHFZSVFIEO-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59389347
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952
tert-butyl N-[3-[4-formyl-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468344
tert-butyl N-[4-[4-formyl-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491307
tert-butyl 3-bromo-5-(trifluoromethyl)pyrazolo[3,4-c]pyridine-1-carboxylate
CID 171503202
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
tert-butyl 5-(bromomethyl)-3-(trifluoromethyl)pyrazole-1-carboxylate
CID 46835609
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
tert-butyl 3-bromo-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine-1-carboxylate
CID 163361237
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
tert-butyl 2-formamidoacetate
CID 11469223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate (CID 87495431) is tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate is CC(C)(C)OC(=O)CNc1ccc(C=O)c2cc(C(F)(F)F)nn12.
What is the InChIKey of tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate?
The InChIKey is OGWATHFZSVFIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-14(2,3)24-13(23)7-19-12-5-4-9(8-22)10-6-11(15(16,17)18)20-21(10)12/h4-6,8,19H,7H2,1-3H3.
What are the key properties of tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate?
tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate has a molecular weight of 343.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-formyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]amino]acetate is sourced from PubChem (CID 87495431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).