tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate

C13H16ClN3O3 — CID 170012478

IUPACtert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)cc2c(Cl)cnn12
InChIInChI=1S/C13H16ClN3O3/c1-13(2,3)20-12(18)16-8-5-10-9(14)7-15-17(10)11(6-8)19-4/h5-7H,1-4H3,(H,16,18)
InChIKeyHPLGUYCZGMXJNX-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate

tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate (PubChem CID 170012478) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate
PubChem CID170012478
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Nametert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)cc2c(Cl)cnn12
InChIInChI=1S/C13H16ClN3O3/c1-13(2,3)20-12(18)16-8-5-10-9(14)7-15-17(10)11(6-8)19-4/h5-7H,1-4H3,(H,16,18)
InChIKeyHPLGUYCZGMXJNX-UHFFFAOYSA-N
XLogP3.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate (CID 170012478) is tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate is COc1cc(NC(=O)OC(C)(C)C)cc2c(Cl)cnn12.
What is the InChIKey of tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate?
The InChIKey is HPLGUYCZGMXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-13(2,3)20-12(18)16-8-5-10-9(14)7-15-17(10)11(6-8)19-4/h5-7H,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate?
tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate has a molecular weight of 297.74 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-chloro-7-methoxypyrazolo[1,5-a]pyridin-5-yl)carbamate is sourced from PubChem (CID 170012478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).