3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one

C24H25FN4O3 — CID 172671190

IUPAC3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCN(c3ccc(F)cn3)C(C)C2)c1=O
InChIInChI=1S/C24H25FN4O3/c1-16-10-11-29(19-6-4-5-7-20(19)32-3)24(31)22(16)23(30)27-12-13-28(17(2)15-27)21-9-8-18(25)14-26-21/h4-11,14,17H,12-13,15H2,1-3H3
InChIKeyYSIVJANWOKQMBW-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one

3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one (PubChem CID 172671190) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
PubChem CID172671190
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCN(c3ccc(F)cn3)C(C)C2)c1=O
InChIInChI=1S/C24H25FN4O3/c1-16-10-11-29(19-6-4-5-7-20(19)32-3)24(31)22(16)23(30)27-12-13-28(17(2)15-27)21-9-8-18(25)14-26-21/h4-11,14,17H,12-13,15H2,1-3H3
InChIKeyYSIVJANWOKQMBW-UHFFFAOYSA-N
XLogP3.04
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one with MolForge

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Related Compounds

3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 146041511
1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
CID 172660066
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 154568660
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
N-(3-acetamido-4-fluorophenyl)-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 175645549
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 146043710
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The IUPAC name of 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one (CID 172671190) is 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one is COc1ccccc1-n1ccc(C)c(C(=O)N2CCN(c3ccc(F)cn3)C(C)C2)c1=O.
What is the InChIKey of 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
The InChIKey is YSIVJANWOKQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-10-11-29(19-6-4-5-7-20(19)32-3)24(31)22(16)23(30)27-12-13-28(17(2)15-27)21-9-8-18(25)14-26-21/h4-11,14,17H,12-13,15H2,1-3H3.
What are the key properties of 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one?
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one has a molecular weight of 436.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172671190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).