tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate

C13H14N4O2 — CID 58746070

IUPACtert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C#N)n2nccc12
InChIInChI=1S/C13H14N4O2/c1-13(2,3)19-12(18)16-10-5-4-9(8-14)17-11(10)6-7-15-17/h4-7H,1-3H3,(H,16,18)
InChIKeyADVOLQIXOQNHIU-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.55
Rot. Bonds1

About tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate

tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate (PubChem CID 58746070) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
PubChem CID58746070
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Nametert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C#N)n2nccc12
InChIInChI=1S/C13H14N4O2/c1-13(2,3)19-12(18)16-10-5-4-9(8-14)17-11(10)6-7-15-17/h4-7H,1-3H3,(H,16,18)
InChIKeyADVOLQIXOQNHIU-UHFFFAOYSA-N
XLogP2.55
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
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tert-butyl N-(6-cyano-1-iodonaphthalen-2-yl)carbamate
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tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
CID 174337768
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
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tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate
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tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
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tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
CID 68546563
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
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tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate (CID 58746070) is tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(C#N)n2nccc12.
What is the InChIKey of tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate?
The InChIKey is ADVOLQIXOQNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,3)19-12(18)16-10-5-4-9(8-14)17-11(10)6-7-15-17/h4-7H,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate?
tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate has a molecular weight of 258.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate is sourced from PubChem (CID 58746070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).