5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C24H19FN4O4 — CID 10275412

IUPAC5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1
InChIInChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
InChIKeyMRPLIGSOQUCMBC-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.70
Rot. Bonds7

About 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide

5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 10275412) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID10275412
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1
InChIInChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32)
InChIKeyMRPLIGSOQUCMBC-UHFFFAOYSA-N
XLogP2.70
TPSA109.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Apixaban
CID 10182969
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
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1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}azepan-2-one
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6-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-1-(4-methoxyphenyl)-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
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6-[4-(2-{[bis(2-hydroxyethyl)amino]methyl}phenyl)phenyl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 20872059
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
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1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 10275412) is 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(N)=O)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1.
What is the InChIKey of 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is MRPLIGSOQUCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-33-18-9-7-16(8-10-18)29-21(14-20(27-29)24(26)32)22(30)12-15-5-6-17(13-19(15)25)28-11-3-2-4-23(28)31/h2-11,13-14H,12H2,1H3,(H2,26,32).
What are the key properties of 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10275412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).