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

C27H28F2N4O5 — CID 162574923

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

ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 162574923) has the molecular formula C27H28F2N4O5 and a molecular weight of 526.54 g/mol. Its IUPAC name is ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• PubChem CID: 162574923
• Molecular Formula: C27H28F2N4O5
• Molecular Weight: 526.54 g/mol
• Exact Mass: 526.20
• IUPAC Name: ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(C2=CC=CCC2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
• InChI: InChI=1S/C27H28F2N4O5/c1-2-37-26(36)23-19-14-16-32(18-12-10-17(11-13-18)31-15-6-5-9-22(31)34)25(35)24(19)33(30-23)20-7-3-4-8-21(20)38-27(28)29/h3-4,7,10-13,21,27H,2,5-6,8-9,14-16H2,1H3
• InChIKey: YIZOPGFOIVIEMV-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 93.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.54
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 162574923) is ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

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

The canonical SMILES for ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C2=CC=CCC2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.

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

The InChIKey is YIZOPGFOIVIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O5/c1-2-37-26(36)23-19-14-16-32(18-12-10-17(11-13-18)31-15-6-5-9-22(31)34)25(35)24(19)33(30-23)20-7-3-4-8-21(20)38-27(28)29/h3-4,7,10-13,21,27H,2,5-6,8-9,14-16H2,1H3.

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

ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 526.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[6-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 162574923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).