tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate

C15H17F3N4O2 — CID 176899055

IUPACtert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(F)nn(C3CC(F)(F)C3)c2n1
InChIInChI=1S/C15H17F3N4O2/c1-14(2,3)24-13(23)20-10-5-4-9-11(16)21-22(12(9)19-10)8-6-15(17,18)7-8/h4-5,8H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyDNVKJPJHCFPQQM-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate

tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate (PubChem CID 176899055) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate
PubChem CID176899055
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Nametert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(F)nn(C3CC(F)(F)C3)c2n1
InChIInChI=1S/C15H17F3N4O2/c1-14(2,3)24-13(23)20-10-5-4-9-11(16)21-22(12(9)19-10)8-6-15(17,18)7-8/h4-5,8H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyDNVKJPJHCFPQQM-UHFFFAOYSA-N
XLogP3.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate (CID 176899055) is tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(F)nn(C3CC(F)(F)C3)c2n1.
What is the InChIKey of tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate?
The InChIKey is DNVKJPJHCFPQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-14(2,3)24-13(23)20-10-5-4-9-11(16)21-22(12(9)19-10)8-6-15(17,18)7-8/h4-5,8H,6-7H2,1-3H3,(H,19,20,23).
What are the key properties of tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate?
tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate has a molecular weight of 342.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,3-difluorocyclobutyl)-3-fluoropyrazolo[5,4-b]pyridin-6-yl]carbamate is sourced from PubChem (CID 176899055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).