ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C27H30N4O5 — CID 142253147

IUPACethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCCN(C(C)=O)c1ccc(N2CCc3c(C(=O)OCC)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C27H30N4O5/c1-5-16-29(18(3)32)19-7-9-20(10-8-19)30-17-15-23-24(27(34)36-6-2)28-31(25(23)26(30)33)21-11-13-22(35-4)14-12-21/h7-14H,5-6,15-17H2,1-4H3
InChIKeyAEVUQKNLUUXTEW-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.02
Rot. Bonds8

About ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 142253147) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID142253147
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Nameethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCCCN(C(C)=O)c1ccc(N2CCc3c(C(=O)OCC)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C27H30N4O5/c1-5-16-29(18(3)32)19-7-9-20(10-8-19)30-17-15-23-24(27(34)36-6-2)28-31(25(23)26(30)33)21-11-13-22(35-4)14-12-21/h7-14H,5-6,15-17H2,1-4H3
InChIKeyAEVUQKNLUUXTEW-UHFFFAOYSA-N
XLogP4.02
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11711790
ethyl 6-[4-[(2-bromoacetyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 58618147
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 149410148
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
2-(diethylamino)ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175097306
[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid
CID 130194443
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 6-hexa-2,4-dien-3-yl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 123156508
ethyl 1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 130194415
methyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175673444
ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;1-hydroxypropan-2-yl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;2-hydroxypropyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 158786106

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 142253147) is ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCCN(C(C)=O)c1ccc(N2CCc3c(C(=O)OCC)nn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is AEVUQKNLUUXTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-5-16-29(18(3)32)19-7-9-20(10-8-19)30-17-15-23-24(27(34)36-6-2)28-31(25(23)26(30)33)21-11-13-22(35-4)14-12-21/h7-14H,5-6,15-17H2,1-4H3.
What are the key properties of ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?
ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[acetyl(propyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 142253147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).