[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone

C25H26FN3O2 — CID 124952617

IUPAC[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)ccn1
InChIInChI=1S/C25H26FN3O2/c1-28(2)24-16-19(11-12-27-24)23-10-5-13-29(23)25(30)20-7-4-9-22(15-20)31-17-18-6-3-8-21(26)14-18/h3-4,6-9,11-12,14-16,23H,5,10,13,17H2,1-2H3/t23-/m1/s1
InChIKeyDPVKHLCZRVEBHW-HSZRJFAPSA-N
MW419.50 g/mol
LogP4.84
Rot. Bonds6

About [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone

[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone (PubChem CID 124952617) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone
PubChem CID124952617
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone
SMILESCN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)ccn1
InChIInChI=1S/C25H26FN3O2/c1-28(2)24-16-19(11-12-27-24)23-10-5-13-29(23)25(30)20-7-4-9-22(15-20)31-17-18-6-3-8-21(26)14-18/h3-4,6-9,11-12,14-16,23H,5,10,13,17H2,1-2H3/t23-/m1/s1
InChIKeyDPVKHLCZRVEBHW-HSZRJFAPSA-N
XLogP4.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone with MolForge

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Related Compounds

N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124999499
N-[[4-[(2R)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124999498
2H-benzotriazol-5-yl-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 124994429
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
(2S)-1-[3-[(3-fluorophenoxy)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119365906
[3-[(3-fluorophenoxy)methyl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650326
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
1-[(2R)-4-[3-[(3-fluorophenyl)methoxy]benzoyl]-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124975618
1-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246800
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone (CID 124952617) is [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone is CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)ccn1.
What is the InChIKey of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone?
The InChIKey is DPVKHLCZRVEBHW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-28(2)24-16-19(11-12-27-24)23-10-5-13-29(23)25(30)20-7-4-9-22(15-20)31-17-18-6-3-8-21(26)14-18/h3-4,6-9,11-12,14-16,23H,5,10,13,17H2,1-2H3/t23-/m1/s1.
What are the key properties of [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone?
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone has a molecular weight of 419.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 124952617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).