tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate

C20H20N4O4 — CID 58837569

IUPACtert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(C(=O)OC(C)(C)C)c1cc(=O)c(C#N)c2cc[nH]n12
InChIInChI=1S/C20H20N4O4/c1-20(2,3)28-19(26)23(15-7-5-6-8-17(15)27-4)18-11-16(25)13(12-21)14-9-10-22-24(14)18/h5-11,22H,1-4H3
InChIKeyPCLWSNXRWPTHLT-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate

tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate (PubChem CID 58837569) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
PubChem CID58837569
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Nametert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1N(C(=O)OC(C)(C)C)c1cc(=O)c(C#N)c2cc[nH]n12
InChIInChI=1S/C20H20N4O4/c1-20(2,3)28-19(26)23(15-7-5-6-8-17(15)27-4)18-11-16(25)13(12-21)14-9-10-22-24(14)18/h5-11,22H,1-4H3
InChIKeyPCLWSNXRWPTHLT-UHFFFAOYSA-N
XLogP3.58
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate (CID 58837569) is tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate is COc1ccccc1N(C(=O)OC(C)(C)C)c1cc(=O)c(C#N)c2cc[nH]n12.
What is the InChIKey of tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
The InChIKey is PCLWSNXRWPTHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20(2,3)28-19(26)23(15-7-5-6-8-17(15)27-4)18-11-16(25)13(12-21)14-9-10-22-24(14)18/h5-11,22H,1-4H3.
What are the key properties of tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate?
tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate has a molecular weight of 380.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 58837569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).