tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate

C25H29FN8O2 — CID 146485229

IUPACtert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)c1cnn2c(NCCc3cccnc3NC(=O)OC(C)(C)C)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H29FN8O2/c1-15(2)19-14-30-34-22(19)31-21(17-11-18(26)13-27-12-17)32-23(34)29-10-8-16-7-6-9-28-20(16)33-24(35)36-25(3,4)5/h6-7,9,11-15H,8,10H2,1-5H3,(H,28,33,35)(H,29,31,32)
InChIKeyOIWDRXSEYPLNJT-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.85
Rot. Bonds7

About tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate

tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate (PubChem CID 146485229) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate
PubChem CID146485229
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Nametert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate
SMILESCC(C)c1cnn2c(NCCc3cccnc3NC(=O)OC(C)(C)C)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H29FN8O2/c1-15(2)19-14-30-34-22(19)31-21(17-11-18(26)13-27-12-17)32-23(34)29-10-8-16-7-6-9-28-20(16)33-24(35)36-25(3,4)5/h6-7,9,11-15H,8,10H2,1-5H3,(H,28,33,35)(H,29,31,32)
InChIKeyOIWDRXSEYPLNJT-UHFFFAOYSA-N
XLogP4.85
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate (CID 146485229) is tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate is CC(C)c1cnn2c(NCCc3cccnc3NC(=O)OC(C)(C)C)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate?
The InChIKey is OIWDRXSEYPLNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c1-15(2)19-14-30-34-22(19)31-21(17-11-18(26)13-27-12-17)32-23(34)29-10-8-16-7-6-9-28-20(16)33-24(35)36-25(3,4)5/h6-7,9,11-15H,8,10H2,1-5H3,(H,28,33,35)(H,29,31,32).
What are the key properties of tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate?
tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate has a molecular weight of 492.56 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]ethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 146485229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).