ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C24H23ClN4O4 — CID 171523128

IUPACethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(C(=O)N(C)C)c1)C2=O
InChIInChI=1S/C24H23ClN4O4/c1-4-33-24(32)20-19-11-12-28(17-9-5-7-15(13-17)22(30)27(2)3)23(31)21(19)29(26-20)18-10-6-8-16(25)14-18/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyYLJMVFWDVIIVDK-UHFFFAOYSA-N
MW466.93 g/mol
LogP3.61
Rot. Bonds5

About ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 171523128) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID171523128
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC Nameethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(C(=O)N(C)C)c1)C2=O
InChIInChI=1S/C24H23ClN4O4/c1-4-33-24(32)20-19-11-12-28(17-9-5-7-15(13-17)22(30)27(2)3)23(31)21(19)29(26-20)18-10-6-8-16(25)14-18/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyYLJMVFWDVIIVDK-UHFFFAOYSA-N
XLogP3.61
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-(3-chlorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523706
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 1-(3-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
CID 178148487
tert-butyl 7-[1-(3-chlorophenyl)-3-ethoxycarbonyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 171523520
ethyl 1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
CID 54706485
ethyl 1-(3-chlorophenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 66581010
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
ethyl 6-[3-chloro-4-(4-oxopentoxy)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 118929164
ethyl 7-oxo-6-[4-(2-oxo-1H-pyridin-3-yl)phenyl]-1-phenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 90950309
ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 142253147
1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171523008
1-(3-chlorophenyl)-N-(cyclopropylmethyl)-7-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171523383

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 171523128) is ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCN(c1cccc(C(=O)N(C)C)c1)C2=O.
What is the InChIKey of ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is YLJMVFWDVIIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-4-33-24(32)20-19-11-12-28(17-9-5-7-15(13-17)22(30)27(2)3)23(31)21(19)29(26-20)18-10-6-8-16(25)14-18/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 466.93 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chlorophenyl)-6-[3-(dimethylcarbamoyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 171523128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).