tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate

C13H16N4O3 — CID 76764456

IUPACtert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
SMILESCC(=O)n1ncc2cc(NC(=O)OC(C)(C)C)ncc21
InChIInChI=1S/C13H16N4O3/c1-8(18)17-10-7-14-11(5-9(10)6-15-17)16-12(19)20-13(2,3)4/h5-7H,1-4H3,(H,14,16,19)
InChIKeyOYAXOKKAFAWWNV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate

tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate (PubChem CID 76764456) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
PubChem CID76764456
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nametert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
SMILESCC(=O)n1ncc2cc(NC(=O)OC(C)(C)C)ncc21
InChIInChI=1S/C13H16N4O3/c1-8(18)17-10-7-14-11(5-9(10)6-15-17)16-12(19)20-13(2,3)4/h5-7H,1-4H3,(H,14,16,19)
InChIKeyOYAXOKKAFAWWNV-UHFFFAOYSA-N
XLogP2.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 162753187
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
1-(5-bromopyrazolo[3,4-c]pyridin-1-yl)ethanone
CID 72698524
tert-butyl N-[1-acetyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 156539845
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
tert-butyl 5-chlorosulfonylpyrazolo[3,4-c]pyridine-1-carboxylate
CID 177099779
[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
CID 59295166
tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate
CID 170968346

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate (CID 76764456) is tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate is CC(=O)n1ncc2cc(NC(=O)OC(C)(C)C)ncc21.
What is the InChIKey of tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate?
The InChIKey is OYAXOKKAFAWWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(18)17-10-7-14-11(5-9(10)6-15-17)16-12(19)20-13(2,3)4/h5-7H,1-4H3,(H,14,16,19).
What are the key properties of tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate?
tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate has a molecular weight of 276.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate is sourced from PubChem (CID 76764456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).