[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene

C18H22FN3O3 — CID 123500847

IUPAC[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene
SMILES[H]/N=N/C1=CC=C(N2CCC[C@@H]2c2cc(F)cc(OCCOC)c2)CO1
InChIInChI=1S/C18H22FN3O3/c1-23-7-8-24-16-10-13(9-14(19)11-16)17-3-2-6-22(17)15-4-5-18(21-20)25-12-15/h4-5,9-11,17,20H,2-3,6-8,12H2,1H3/b21-20+/t17-/m1/s1
InChIKeyGRECFZNGCZETDL-SGRLSNSRSA-N
MW347.39 g/mol
LogP3.77
Rot. Bonds7

About [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene

[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene (PubChem CID 123500847) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene.

Molecular Properties

Compound Name[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene
PubChem CID123500847
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene
SMILES[H]/N=N/C1=CC=C(N2CCC[C@@H]2c2cc(F)cc(OCCOC)c2)CO1
InChIInChI=1S/C18H22FN3O3/c1-23-7-8-24-16-10-13(9-14(19)11-16)17-3-2-6-22(17)15-4-5-18(21-20)25-12-15/h4-5,9-11,17,20H,2-3,6-8,12H2,1H3/b21-20+/t17-/m1/s1
InChIKeyGRECFZNGCZETDL-SGRLSNSRSA-N
XLogP3.77
TPSA67.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
CID 68779837
5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 141292503
5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500168
3-[3-fluoro-5-[1-(3-methylpentan-2-yl)pyrrolidin-2-yl]phenoxy]propane-1,2-diol
CID 129252824
5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 146380808
1-methyl-2-[2,4,6-tri(icosoxy)phenyl]pyrrolidine
CID 102045415
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472352
N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 103178014
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
CID 77178143
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
(2R)-1-[(2S)-2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 124618147

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene?
The IUPAC name of [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene (CID 123500847) is [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene.
What is the SMILES notation for [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene?
The canonical SMILES for [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene is [H]/N=N/C1=CC=C(N2CCC[C@@H]2c2cc(F)cc(OCCOC)c2)CO1.
What is the InChIKey of [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene?
The InChIKey is GRECFZNGCZETDL-SGRLSNSRSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-23-7-8-24-16-10-13(9-14(19)11-16)17-3-2-6-22(17)15-4-5-18(21-20)25-12-15/h4-5,9-11,17,20H,2-3,6-8,12H2,1H3/b21-20+/t17-/m1/s1.
What are the key properties of [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene?
[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene has a molecular weight of 347.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene is sourced from PubChem (CID 123500847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).