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

C23H20FN5O3 — CID 118086915

IUPAC1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C23H20FN5O3/c1-13-11-15(27-10-8-19(27)30)5-6-18(13)28-9-7-17-20(22(25)31)26-29(21(17)23(28)32)16-4-2-3-14(24)12-16/h2-6,11-12H,7-10H2,1H3,(H2,25,31)
InChIKeyFLHMEBOPOQQHMP-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.36
Rot. Bonds4

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

1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118086915) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118086915
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc(N2CCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O
InChIInChI=1S/C23H20FN5O3/c1-13-11-15(27-10-8-19(27)30)5-6-18(13)28-9-7-17-20(22(25)31)26-29(21(17)23(28)32)16-4-2-3-14(24)12-16/h2-6,11-12H,7-10H2,1H3,(H2,25,31)
InChIKeyFLHMEBOPOQQHMP-UHFFFAOYSA-N
XLogP2.36
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086993
6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086860
1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086939
1-(4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086878
1-(2-ethyl-4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazetidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-5-methylphenyl)-7-oxo-6-[4-(2-oxoazetidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-methoxyphenyl)-7-oxo-6-[4-(2-oxoazetidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(2-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 158110826
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498653
ethyl 6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 118087106
1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043
1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498651
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118086915) is 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-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-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc(N2CCC2=O)ccc1N1CCc2c(C(N)=O)nn(-c3cccc(F)c3)c2C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is FLHMEBOPOQQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-13-11-15(27-10-8-19(27)30)5-6-18(13)28-9-7-17-20(22(25)31)26-29(21(17)23(28)32)16-4-2-3-14(24)12-16/h2-6,11-12H,7-10H2,1H3,(H2,25,31).
What are the key properties of 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-[2-methyl-4-(2-oxoazetidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118086915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).