1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one

C25H25ClFN3O2 — CID 137290617

IUPAC1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccc(O)c(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCCN3CCCC3=O)n2)c1
InChIInChI=1S/C25H25ClFN3O2/c1-16-5-8-23(31)19(12-16)22-14-18(17-6-7-20(26)21(27)13-17)15-24(29-22)28-9-3-11-30-10-2-4-25(30)32/h5-8,12-15,31H,2-4,9-11H2,1H3,(H,28,29)
InChIKeyPPCIFLBIQHIARS-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.65
Rot. Bonds7

About 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one (PubChem CID 137290617) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
PubChem CID137290617
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC Name1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccc(O)c(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCCN3CCCC3=O)n2)c1
InChIInChI=1S/C25H25ClFN3O2/c1-16-5-8-23(31)19(12-16)22-14-18(17-6-7-20(26)21(27)13-17)15-24(29-22)28-9-3-11-30-10-2-4-25(30)32/h5-8,12-15,31H,2-4,9-11H2,1H3,(H,28,29)
InChIKeyPPCIFLBIQHIARS-UHFFFAOYSA-N
XLogP5.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
4-[2-(2-hydroxy-5-methoxyphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-pyridinyl]benzonitrile
CID 137306931
2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
CID 137290609
1-[3-[[4-(4-tert-butylphenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290595
1-[3-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 90189569
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
2-[4-(4-chloro-3-fluorophenyl)-6-(3-methoxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290856
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
CID 137290891
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one (CID 137290617) is 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one is Cc1ccc(O)c(-c2cc(-c3ccc(Cl)c(F)c3)cc(NCCCN3CCCC3=O)n2)c1.
What is the InChIKey of 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
The InChIKey is PPCIFLBIQHIARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c1-16-5-8-23(31)19(12-16)22-14-18(17-6-7-20(26)21(27)13-17)15-24(29-22)28-9-3-11-30-10-2-4-25(30)32/h5-8,12-15,31H,2-4,9-11H2,1H3,(H,28,29).
What are the key properties of 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one has a molecular weight of 453.95 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 137290617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).