tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

C23H26N4O4 — CID 58837536

IUPACtert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CC)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C23H26N4O4/c1-6-17-20(28)18(14-24)19-12-13-25-27(19)21(17)26(22(29)31-23(3,4)5)15-8-10-16(11-9-15)30-7-2/h8-13,25H,6-7H2,1-5H3
InChIKeyJHAWCXMOLRZTAF-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.53
Rot. Bonds5

About tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (PubChem CID 58837536) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
PubChem CID58837536
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nametert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CC)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C23H26N4O4/c1-6-17-20(28)18(14-24)19-12-13-25-27(19)21(17)26(22(29)31-23(3,4)5)15-8-10-16(11-9-15)30-7-2/h8-13,25H,6-7H2,1-5H3
InChIKeyJHAWCXMOLRZTAF-UHFFFAOYSA-N
XLogP4.53
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.53
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-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (CID 58837536) is tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CC)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The InChIKey is JHAWCXMOLRZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-6-17-20(28)18(14-24)19-12-13-25-27(19)21(17)26(22(29)31-23(3,4)5)15-8-10-16(11-9-15)30-7-2/h8-13,25H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-(4-cyano-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate has a molecular weight of 422.49 g/mol, XLogP of 4.53, 5 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-6-ethyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 58837536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).