5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one

C21H17FN4O2 — CID 135355448

IUPAC5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1
InChIInChI=1S/C21H17FN4O2/c1-25-13-17(15-11-24-26(12-15)19-6-4-3-5-18(19)22)16(9-21(25)27)14-7-8-20(28-2)23-10-14/h3-13H,1-2H3
InChIKeyBTLLORLAUZFBCR-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.45
Rot. Bonds4

About 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one

5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one (PubChem CID 135355448) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one
PubChem CID135355448
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1
InChIInChI=1S/C21H17FN4O2/c1-25-13-17(15-11-24-26(12-15)19-6-4-3-5-18(19)22)16(9-21(25)27)14-7-8-20(28-2)23-10-14/h3-13H,1-2H3
InChIKeyBTLLORLAUZFBCR-UHFFFAOYSA-N
XLogP3.45
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
5,6-Bis(4-methoxyphenyl)-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 18369432
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
7-Methoxy-4-[(2-pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 24752867
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16187264
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189799
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one?
The IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one (CID 135355448) is 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one is COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1.
What is the InChIKey of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one?
The InChIKey is BTLLORLAUZFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-25-13-17(15-11-24-26(12-15)19-6-4-3-5-18(19)22)16(9-21(25)27)14-7-8-20(28-2)23-10-14/h3-13H,1-2H3.
What are the key properties of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one?
5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one has a molecular weight of 376.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(6-methoxy-3-pyridinyl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).