(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C22H26FN3O2 — CID 118037755

IUPAC(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESCN[C@@H](C)C/C=C/c1cncc(O[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-16(24-2)4-3-5-17-12-21(14-25-13-17)28-20-10-11-26(15-20)22(27)18-6-8-19(23)9-7-18/h3,5-9,12-14,16,20,24H,4,10-11,15H2,1-2H3/b5-3+/t16-,20+/m0/s1
InChIKeySRDDFMHJMRBNJJ-BVIVKCGYSA-N
MW383.47 g/mol
LogP3.53
Rot. Bonds7

About (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 118037755) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID118037755
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESCN[C@@H](C)C/C=C/c1cncc(O[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26FN3O2/c1-16(24-2)4-3-5-17-12-21(14-25-13-17)28-20-10-11-26(15-20)22(27)18-6-8-19(23)9-7-18/h3,5-9,12-14,16,20,24H,4,10-11,15H2,1-2H3/b5-3+/t16-,20+/m0/s1
InChIKeySRDDFMHJMRBNJJ-BVIVKCGYSA-N
XLogP3.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[(3S)-3-[[5-[(4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 154069341
[(3S)-3-[[2-chloro-5-[(4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 154069330
[(3S)-3-[[5-[(E,4R)-4-methylhex-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 162235472
[(3S)-3-[[2-chloro-5-[(4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
CID 154069324
[(3R)-3-[[2-chloro-5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-cyclopentylmethanone
CID 118037561
tert-butyl N-[(2S)-5-[5-[(3R)-1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]pent-4-en-2-yl]-N-methylcarbamate
CID 154069304
1-[(3R)-3-[[2-chloro-5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 118037650
4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
CID 18384976
1-[3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 58032837
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
[3-(4-fluorophenoxy)pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75503928

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 118037755) is (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is CN[C@@H](C)C/C=C/c1cncc(O[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is SRDDFMHJMRBNJJ-BVIVKCGYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16(24-2)4-3-5-17-12-21(14-25-13-17)28-20-10-11-26(15-20)22(27)18-6-8-19(23)9-7-18/h3,5-9,12-14,16,20,24H,4,10-11,15H2,1-2H3/b5-3+/t16-,20+/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118037755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).