5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid

C17H17FN4O3 — CID 166297232

IUPAC5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC1CN(c2ccc(F)cn2)CCN1C(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C17H17FN4O3/c1-11-10-21(15-3-2-14(18)9-20-15)4-5-22(11)16(23)12-6-13(17(24)25)8-19-7-12/h2-3,6-9,11H,4-5,10H2,1H3,(H,24,25)
InChIKeyUYVOOOLOLURQLB-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.66
Rot. Bonds3

About 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid

5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 166297232) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID166297232
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC1CN(c2ccc(F)cn2)CCN1C(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C17H17FN4O3/c1-11-10-21(15-3-2-14(18)9-20-15)4-5-22(11)16(23)12-6-13(17(24)25)8-19-7-12/h2-3,6-9,11H,4-5,10H2,1H3,(H,24,25)
InChIKeyUYVOOOLOLURQLB-UHFFFAOYSA-N
XLogP1.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 134500389
4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
CID 174202611
[3-(2,6-dichlorophenyl)-1H-pyrrol-2-yl]-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazin-1-yl]methanone
CID 167931708
[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 83288832
[(2S)-4-[6-(2-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93296936
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
(4-fluorophenyl)-[4-[6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 42807364
[(2S)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 93297113
5-[(2R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 24859861
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1,2-dicarboxylic acid
CID 90744981

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid (CID 166297232) is 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid is CC1CN(c2ccc(F)cn2)CCN1C(=O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is UYVOOOLOLURQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-11-10-21(15-3-2-14(18)9-20-15)4-5-22(11)16(23)12-6-13(17(24)25)8-19-7-12/h2-3,6-9,11H,4-5,10H2,1H3,(H,24,25).
What are the key properties of 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid?
5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 344.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-fluoro-2-pyridinyl)-2-methylpiperazine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166297232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).