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

C22H24N4O4 — CID 58837610

IUPACtert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C22H24N4O4/c1-6-29-16-9-7-15(8-10-16)25(21(28)30-22(3,4)5)20-14(2)19(27)17(13-23)18-11-12-24-26(18)20/h7-12,24H,6H2,1-5H3
InChIKeyBORILXUBNZXBGM-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.28
Rot. Bonds4

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

tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (PubChem CID 58837610) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
PubChem CID58837610
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Nametert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C22H24N4O4/c1-6-29-16-9-7-15(8-10-16)25(21(28)30-22(3,4)5)20-14(2)19(27)17(13-23)18-11-12-24-26(18)20/h7-12,24H,6H2,1-5H3
InChIKeyBORILXUBNZXBGM-UHFFFAOYSA-N
XLogP4.28
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.28
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-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (CID 58837610) is tert-butyl N-(4-cyano-6-methyl-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-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The InChIKey is BORILXUBNZXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-6-29-16-9-7-15(8-10-16)25(21(28)30-22(3,4)5)20-14(2)19(27)17(13-23)18-11-12-24-26(18)20/h7-12,24H,6H2,1-5H3.
What are the key properties of tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate has a molecular weight of 408.46 g/mol, XLogP of 4.28, 4 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-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 58837610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).