1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H24FN5O4 — CID 118086886

IUPAC1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C25H24FN5O4/c1-35-20-14-16(29-11-3-2-7-21(29)32)8-9-19(20)30-12-10-18-22(24(27)33)28-31(23(18)25(30)34)17-6-4-5-15(26)13-17/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33)
InChIKeyWFFWBSRGXYRKGB-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.84
Rot. Bonds5

About 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086886) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086886
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C25H24FN5O4/c1-35-20-14-16(29-11-3-2-7-21(29)32)8-9-19(20)30-12-10-18-22(24(27)33)28-31(23(18)25(30)34)17-6-4-5-15(26)13-17/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33)
InChIKeyWFFWBSRGXYRKGB-UHFFFAOYSA-N
XLogP2.84
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086886) is 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1cc(N2CCCCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WFFWBSRGXYRKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-35-20-14-16(29-11-3-2-7-21(29)32)8-9-19(20)30-12-10-18-22(24(27)33)28-31(23(18)25(30)34)17-6-4-5-15(26)13-17/h4-6,8-9,13-14H,2-3,7,10-12H2,1H3,(H2,27,33).
What are the key properties of 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-[2-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).