1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C25H25F2N5O3 — CID 145026685

About 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 145026685) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 145026685
• Molecular Formula: C25H25F2N5O3
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.19
• IUPAC Name: 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1nn(-c2ccccc2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2
• InChI: InChI=1S/C25H25F2N5O3/c26-25(27)35-21-6-2-1-5-19(21)32-20-15-30(14-12-18(20)23(29-32)24(28)34)16-8-10-17(11-9-16)31-13-4-3-7-22(31)33/h1-2,5-6,8-11,25H,3-4,7,12-15H2,(H2,28,34)
• InChIKey: OICUHNMKYBSWSF-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 93.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 145026685) is 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccccc2OC(F)F)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2.

What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is OICUHNMKYBSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c26-25(27)35-21-6-2-1-5-19(21)32-20-15-30(14-12-18(20)23(29-32)24(28)34)16-8-10-17(11-9-16)31-13-4-3-7-22(31)33/h1-2,5-6,8-11,25H,3-4,7,12-15H2,(H2,28,34).

What are the key properties of 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 145026685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).