ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate

C21H18N4O3 — CID 102239631

IUPACethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cn(Nc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H18N4O3/c1-2-28-21(27)18-14-24(22-15-9-5-3-6-10-15)13-17-19(18)23-25(20(17)26)16-11-7-4-8-12-16/h3-14,22H,2H2,1H3
InChIKeyPSRSXAQETUTPHV-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.19
Rot. Bonds5

About ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate

ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 102239631) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID102239631
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Nameethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1cn(Nc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2
InChIInChI=1S/C21H18N4O3/c1-2-28-21(27)18-14-24(22-15-9-5-3-6-10-15)13-17-19(18)23-25(20(17)26)16-11-7-4-8-12-16/h3-14,22H,2H2,1H3
InChIKeyPSRSXAQETUTPHV-UHFFFAOYSA-N
XLogP3.19
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate (CID 102239631) is ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is CCOC(=O)c1cn(Nc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2.
What is the InChIKey of ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is PSRSXAQETUTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-28-21(27)18-14-24(22-15-9-5-3-6-10-15)13-17-19(18)23-25(20(17)26)16-11-7-4-8-12-16/h3-14,22H,2H2,1H3.
What are the key properties of ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate?
ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-anilino-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 102239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).