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

C25H24FN5O5 — CID 118929192

IUPAC1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F
InChIInChI=1S/C25H24FN5O5/c1-14-11-15(3-5-19(14)30-9-10-36-13-21(30)32)29-8-7-17-22(24(27)33)28-31(23(17)25(29)34)16-4-6-20(35-2)18(26)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H2,27,33)
InChIKeyADROOOQOMZRLDD-UHFFFAOYSA-N
MW493.50 g/mol
LogP1.99
Rot. Bonds5

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

1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118929192) has the molecular formula C25H24FN5O5 and a molecular weight of 493.50 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118929192
Molecular FormulaC25H24FN5O5
Molecular Weight493.50 g/mol
Exact Mass493.18
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F
InChIInChI=1S/C25H24FN5O5/c1-14-11-15(3-5-19(14)30-9-10-36-13-21(30)32)29-8-7-17-22(24(27)33)28-31(23(17)25(29)34)16-4-6-20(35-2)18(26)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H2,27,33)
InChIKeyADROOOQOMZRLDD-UHFFFAOYSA-N
XLogP1.99
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118929192) is 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ADROOOQOMZRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5/c1-14-11-15(3-5-19(14)30-9-10-36-13-21(30)32)29-8-7-17-22(24(27)33)28-31(23(17)25(29)34)16-4-6-20(35-2)18(26)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H2,27,33).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 493.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118929192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).