butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

C14H19N3O3 — CID 135692701

IUPACbutyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1c[nH]c2c(c(C)nn2CC)c1=O
InChIInChI=1S/C14H19N3O3/c1-4-6-7-20-14(19)10-8-15-13-11(12(10)18)9(3)16-17(13)5-2/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyNQVIWVSRXNMIOQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.01
Rot. Bonds5

About butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135692701) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namebutyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135692701
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namebutyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1c[nH]c2c(c(C)nn2CC)c1=O
InChIInChI=1S/C14H19N3O3/c1-4-6-7-20-14(19)10-8-15-13-11(12(10)18)9(3)16-17(13)5-2/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyNQVIWVSRXNMIOQ-UHFFFAOYSA-N
XLogP2.01
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984
methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
dibutyl benzene-1,2-dicarboxylate
CID 69108201
dibutyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 11109672
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
butyl 5-methyl-1H-imidazole-4-carboxylate
CID 21401480
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
butyl 5-chloro-2-oxo-1H-pyrazine-3-carboxylate
CID 91884494
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333

Frequently Asked Questions

What is the IUPAC name of butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135692701) is butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCCCOC(=O)c1c[nH]c2c(c(C)nn2CC)c1=O.
What is the InChIKey of butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is NQVIWVSRXNMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-6-7-20-14(19)10-8-15-13-11(12(10)18)9(3)16-17(13)5-2/h8H,4-7H2,1-3H3,(H,15,18).
What are the key properties of butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-ethyl-3-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135692701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).