2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine

C21H16F4N4 — CID 21027351

IUPAC2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine
SMILESFc1ccc(-c2nn3c(CNCC(F)(F)F)cccc3c2-c2ccncc2)cc1
InChIInChI=1S/C21H16F4N4/c22-16-6-4-15(5-7-16)20-19(14-8-10-26-11-9-14)18-3-1-2-17(29(18)28-20)12-27-13-21(23,24)25/h1-11,27H,12-13H2
InChIKeyZUPNRWJAHVNJNG-UHFFFAOYSA-N
MW400.38 g/mol
LogP4.85
Rot. Bonds5

About 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine (PubChem CID 21027351) has the molecular formula C21H16F4N4 and a molecular weight of 400.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine
PubChem CID21027351
Molecular FormulaC21H16F4N4
Molecular Weight400.38 g/mol
Exact Mass400.13
IUPAC Name2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine
SMILESFc1ccc(-c2nn3c(CNCC(F)(F)F)cccc3c2-c2ccncc2)cc1
InChIInChI=1S/C21H16F4N4/c22-16-6-4-15(5-7-16)20-19(14-8-10-26-11-9-14)18-3-1-2-17(29(18)28-20)12-27-13-21(23,24)25/h1-11,27H,12-13H2
InChIKeyZUPNRWJAHVNJNG-UHFFFAOYSA-N
XLogP4.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-7-(piperidin-1-ylmethyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 21027406
7-cyclopentyloxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 21027369
N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine
CID 142174311
2-amino-2-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]ethane-1,1,1-triol
CID 178079030
2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171811848
6-bromo-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 178078886
2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine
CID 10140975
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
3-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carbonyl]amino]propyl 9H-pyrido[3,4-b]indole-1-carboxylate
CID 171811865
7-(4-fluorophenyl)-8-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazine
CID 22909019
methyl N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]carbamate
CID 178078879
2-(2,4-difluorophenyl)-1-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methylamino]-3-(tetrazol-1-yl)propan-2-ol
CID 171811753

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine (CID 21027351) is 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine is Fc1ccc(-c2nn3c(CNCC(F)(F)F)cccc3c2-c2ccncc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine?
The InChIKey is ZUPNRWJAHVNJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4/c22-16-6-4-15(5-7-16)20-19(14-8-10-26-11-9-14)18-3-1-2-17(29(18)28-20)12-27-13-21(23,24)25/h1-11,27H,12-13H2.
What are the key properties of 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine has a molecular weight of 400.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine is sourced from PubChem (CID 21027351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).