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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Related Compounds

ethyl 4-(5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carbonyl)piperazine-1-carboxylate
CID 18570228
methyl 5-[(2-chlorophenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495613
methyl 5-[3-(dimethylamino)propyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495612
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
N-(4-ethylphenyl)-3-oxo-2-phenyl-5-propylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570396
ethyl 6-(2,2-dimethylpropanoyl)-3-oxo-2-phenylpyridazine-4-carboxylate
CID 100786022
methyl 5-(2-methylcyclohexyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495579
methyl 3-oxo-2-phenyl-5-(1H-1,2,4-triazol-5-yl)pyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495608
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
methyl 5-(1,3-benzothiazol-2-yl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 82017586
ethyl 6-methyl-5-oxo-1-phenyl-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate
CID 1234430
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898

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).