ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C28H30N4O5 — CID 149410148

About ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 149410148) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• PubChem CID: 149410148
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N3C(=O)CCCC3C)cc1)C2=O
• InChI: InChI=1S/C28H30N4O5/c1-4-37-28(35)25-23-16-17-30(19-8-10-20(11-9-19)31-18(2)6-5-7-24(31)33)27(34)26(23)32(29-25)21-12-14-22(36-3)15-13-21/h8-15,18H,4-7,16-17H2,1-3H3
• InChIKey: YRBWJBOEFMMESV-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 93.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The IUPAC name of 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) is ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N3C(=O)CCCC3C)cc1)C2=O.

What is the InChIKey of ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The InChIKey is YRBWJBOEFMMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-4-37-28(35)25-23-16-17-30(19-8-10-20(11-9-19)31-18(2)6-5-7-24(31)33)27(34)26(23)32(29-25)21-12-14-22(36-3)15-13-21/h8-15,18H,4-7,16-17H2,1-3H3.

What are the key properties of ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 502.57 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 149410148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).