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

C24H28N4O4 — CID 58837532

IUPACtert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C24H28N4O4/c1-7-31-17-10-8-16(9-11-17)27(23(30)32-24(4,5)6)22-20(15(2)3)21(29)18(14-25)19-12-13-26-28(19)22/h8-13,15,26H,7H2,1-6H3
InChIKeyLKTBZNQTYVOKLO-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.09
Rot. Bonds5

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

tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (PubChem CID 58837532) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
PubChem CID58837532
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Nametert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C24H28N4O4/c1-7-31-17-10-8-16(9-11-17)27(23(30)32-24(4,5)6)22-20(15(2)3)21(29)18(14-25)19-12-13-26-28(19)22/h8-13,15,26H,7H2,1-6H3
InChIKeyLKTBZNQTYVOKLO-UHFFFAOYSA-N
XLogP5.09
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.09
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-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate (CID 58837532) is tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-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-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
The InChIKey is LKTBZNQTYVOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-7-31-17-10-8-16(9-11-17)27(23(30)32-24(4,5)6)22-20(15(2)3)21(29)18(14-25)19-12-13-26-28(19)22/h8-13,15,26H,7H2,1-6H3.
What are the key properties of tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-(4-cyano-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate has a molecular weight of 436.51 g/mol, XLogP of 5.09, 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-5-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 58837532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).