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

C23H26N4O5 — CID 58837622

IUPACtert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C23H26N4O5/c1-15-20(28)18(14-24)19-10-11-25-27(19)21(15)26(22(29)32-23(2,3)4)16-6-8-17(9-7-16)31-13-12-30-5/h6-11,25H,12-13H2,1-5H3
InChIKeyXAFFZIPZJTXBPB-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.91
Rot. Bonds6

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

tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate (PubChem CID 58837622) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 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-(2-methoxyethoxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate
PubChem CID58837622
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Nametert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C23H26N4O5/c1-15-20(28)18(14-24)19-10-11-25-27(19)21(15)26(22(29)32-23(2,3)4)16-6-8-17(9-7-16)31-13-12-30-5/h6-11,25H,12-13H2,1-5H3
InChIKeyXAFFZIPZJTXBPB-UHFFFAOYSA-N
XLogP3.91
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-(2-methoxyethoxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate (CID 58837622) is tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]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-(2-methoxyethoxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate is COCCOc1ccc(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-(2-methoxyethoxy)phenyl]carbamate?
The InChIKey is XAFFZIPZJTXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-15-20(28)18(14-24)19-10-11-25-27(19)21(15)26(22(29)32-23(2,3)4)16-6-8-17(9-7-16)31-13-12-30-5/h6-11,25H,12-13H2,1-5H3.
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-(2-methoxyethoxy)phenyl]carbamate?
tert-butyl N-(4-cyano-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl)-N-[4-(2-methoxyethoxy)phenyl]carbamate has a molecular weight of 438.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methoxyethoxy)phenyl]carbamate is sourced from PubChem (CID 58837622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).