tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

C24H26N4O4 — CID 58837581

IUPACtert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESC=CCc1c(N(C(=O)OC(C)(C)C)c2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O
InChIInChI=1S/C24H26N4O4/c1-6-8-18-21(29)19(15-25)20-13-14-26-28(20)22(18)27(23(30)32-24(3,4)5)16-9-11-17(12-10-16)31-7-2/h6,9-14,26H,1,7-8H2,2-5H3
InChIKeyDUZZFTSJBRMANJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.70
Rot. Bonds6

About tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate

tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (PubChem CID 58837581) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
PubChem CID58837581
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESC=CCc1c(N(C(=O)OC(C)(C)C)c2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O
InChIInChI=1S/C24H26N4O4/c1-6-8-18-21(29)19(15-25)20-13-14-26-28(20)22(18)27(23(30)32-24(3,4)5)16-9-11-17(12-10-16)31-7-2/h6,9-14,26H,1,7-8H2,2-5H3
InChIKeyDUZZFTSJBRMANJ-UHFFFAOYSA-N
XLogP4.70
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (CID 58837581) is tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is C=CCc1c(N(C(=O)OC(C)(C)C)c2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O.
What is the InChIKey of tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The InChIKey is DUZZFTSJBRMANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-6-8-18-21(29)19(15-25)20-13-14-26-28(20)22(18)27(23(30)32-24(3,4)5)16-9-11-17(12-10-16)31-7-2/h6,9-14,26H,1,7-8H2,2-5H3.
What are the key properties of tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-(4-cyano-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate has a molecular weight of 434.50 g/mol, XLogP of 4.70, 6 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-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 58837581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).