1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine

C20H24FN5O2 — CID 88931442

IUPAC1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine
SMILESCOC1CN(c2ccc(N3CCN(c4cccc(CN=O)c4F)CC3)cn2)C1
InChIInChI=1S/C20H24FN5O2/c1-28-17-13-26(14-17)19-6-5-16(12-22-19)24-7-9-25(10-8-24)18-4-2-3-15(11-23-27)20(18)21/h2-6,12,17H,7-11,13-14H2,1H3
InChIKeyNENYYSQLBHHNJN-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine

1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine (PubChem CID 88931442) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine
PubChem CID88931442
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine
SMILESCOC1CN(c2ccc(N3CCN(c4cccc(CN=O)c4F)CC3)cn2)C1
InChIInChI=1S/C20H24FN5O2/c1-28-17-13-26(14-17)19-6-5-16(12-22-19)24-7-9-25(10-8-24)18-4-2-3-15(11-23-27)20(18)21/h2-6,12,17H,7-11,13-14H2,1H3
InChIKeyNENYYSQLBHHNJN-UHFFFAOYSA-N
XLogP2.65
TPSA61.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine with MolForge

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Related Compounds

5-[4-[2-fluoro-3-(nitrosomethyl)phenyl]piperazin-1-yl]pyrimidine
CID 88931001
[N'-[[2-fluoro-3-[4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]piperazin-1-yl]phenyl]methyl]carbamimidoyl]carbamic acid
CID 118112352
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
[2-fluoro-3-[4-[2-[3-(2-methoxyethoxy)azetidin-1-yl]pyrimidin-5-yl]piperazin-1-yl]phenyl]methyl 3-amino-3-iminopropanoate
CID 157087553
5-[4-[1-[3-(diaminomethylidenecarbamoyloxymethyl)-2-fluorophenyl]azetidin-3-yl]oxypiperidin-1-yl]pyridine-2-carboxylic acid
CID 118132722
[2-fluoro-3-[4-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]piperazin-1-yl]phenyl]methyl N-(diaminomethylidene)carbamate
CID 118132597
[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 99874418
CID 163577959
CID 163577959
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
[3-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146028278
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
CID 90124088
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine?
The IUPAC name of 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine (CID 88931442) is 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine is COC1CN(c2ccc(N3CCN(c4cccc(CN=O)c4F)CC3)cn2)C1.
What is the InChIKey of 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine?
The InChIKey is NENYYSQLBHHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-28-17-13-26(14-17)19-6-5-16(12-22-19)24-7-9-25(10-8-24)18-4-2-3-15(11-23-27)20(18)21/h2-6,12,17H,7-11,13-14H2,1H3.
What are the key properties of 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine?
1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine has a molecular weight of 385.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(nitrosomethyl)phenyl]-4-[6-(3-methoxyazetidin-1-yl)-3-pyridinyl]piperazine is sourced from PubChem (CID 88931442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).