1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C23H26F2N6O5 — CID 118535856

IUPAC1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O
InChIInChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
InChIKeyJKPYXYOCVLDBJL-UHFFFAOYSA-N
MW504.49 g/mol
LogP0.81
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118535856) has the molecular formula C23H26F2N6O5 and a molecular weight of 504.49 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118535856
Molecular FormulaC23H26F2N6O5
Molecular Weight504.49 g/mol
Exact Mass504.19
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(OC(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O
InChIInChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33)
InChIKeyJKPYXYOCVLDBJL-UHFFFAOYSA-N
XLogP0.81
TPSA123.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118535856) is 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc(OC(F)F)cc2)c2c1CCN(C1CCN(N3CCOCC3=O)CC1)C2=O.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JKPYXYOCVLDBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O5/c24-23(25)36-16-3-1-15(2-4-16)31-20-17(19(27-31)21(26)33)7-10-29(22(20)34)14-5-8-28(9-6-14)30-11-12-35-13-18(30)32/h1-4,14,23H,5-13H2,(H2,26,33).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 504.49 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-oxo-6-[1-(3-oxomorpholin-4-yl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118535856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).