2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol

C24H25ClFN3O2 — CID 137306796

IUPAC2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C24H25ClFN3O2/c25-19-6-3-7-20(26)24(19)17-15-21(18-5-1-2-8-22(18)30)28-23(16-17)27-9-4-10-29-11-13-31-14-12-29/h1-3,5-8,15-16,30H,4,9-14H2,(H,27,28)
InChIKeyKCFBZEXNRHLWTE-UHFFFAOYSA-N
MW441.93 g/mol
LogP5.05
Rot. Bonds7

About 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol

2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol (PubChem CID 137306796) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
PubChem CID137306796
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCCN2CCOCC2)n1
InChIInChI=1S/C24H25ClFN3O2/c25-19-6-3-7-20(26)24(19)17-15-21(18-5-1-2-8-22(18)30)28-23(16-17)27-9-4-10-29-11-13-31-14-12-29/h1-3,5-8,15-16,30H,4,9-14H2,(H,27,28)
InChIKeyKCFBZEXNRHLWTE-UHFFFAOYSA-N
XLogP5.05
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.93
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
CID 137306843
4-chloro-2-[4-(2-chloro-6-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methylphenol
CID 137306942
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
CID 137290814
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
2-[2-amino-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]-4-(2-fluoro-4-methylanilino)phenol
CID 142680292
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 71199797
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol (CID 137306796) is 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2c(F)cccc2Cl)cc(NCCCN2CCOCC2)n1.
What is the InChIKey of 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol?
The InChIKey is KCFBZEXNRHLWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2/c25-19-6-3-7-20(26)24(19)17-15-21(18-5-1-2-8-22(18)30)28-23(16-17)27-9-4-10-29-11-13-31-14-12-29/h1-3,5-8,15-16,30H,4,9-14H2,(H,27,28).
What are the key properties of 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol?
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol has a molecular weight of 441.93 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol is sourced from PubChem (CID 137306796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).