1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine

C25H28F2N4O — CID 130373316

IUPAC1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine
SMILESFc1cccc(CNCc2ccc(-c3ccc(OCCN4CCNCC4)cc3F)cn2)c1
InChIInChI=1S/C25H28F2N4O/c26-21-3-1-2-19(14-21)16-29-18-22-5-4-20(17-30-22)24-7-6-23(15-25(24)27)32-13-12-31-10-8-28-9-11-31/h1-7,14-15,17,28-29H,8-13,16,18H2
InChIKeyUGTDMWDALNQWAQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.60
Rot. Bonds9

About 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine

1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine (PubChem CID 130373316) has the molecular formula C25H28F2N4O and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine
PubChem CID130373316
Molecular FormulaC25H28F2N4O
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine
SMILESFc1cccc(CNCc2ccc(-c3ccc(OCCN4CCNCC4)cc3F)cn2)c1
InChIInChI=1S/C25H28F2N4O/c26-21-3-1-2-19(14-21)16-29-18-22-5-4-20(17-30-22)24-7-6-23(15-25(24)27)32-13-12-31-10-8-28-9-11-31/h1-7,14-15,17,28-29H,8-13,16,18H2
InChIKeyUGTDMWDALNQWAQ-UHFFFAOYSA-N
XLogP3.60
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
2-[2-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-5-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 58795751
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
2-[(3-fluorophenyl)methylamino]-1-[4-[4-(2-morpholin-4-ylethoxy)phenyl]phenyl]ethanol
CID 25176242
2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 58190300
N-benzyl-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]acetamide
CID 59000720
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
3-[2-fluoro-4-(3-piperazin-1-ylpropoxy)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 18540173
2-[4-[4-fluoro-6-(2-piperazin-1-ylethoxy)-3-pyridinyl]phenyl]-N-(pyrimidin-2-ylmethyl)acetamide
CID 143257120
2-[5-[2-ethyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450455
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine (CID 130373316) is 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine is Fc1cccc(CNCc2ccc(-c3ccc(OCCN4CCNCC4)cc3F)cn2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine?
The InChIKey is UGTDMWDALNQWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O/c26-21-3-1-2-19(14-21)16-29-18-22-5-4-20(17-30-22)24-7-6-23(15-25(24)27)32-13-12-31-10-8-28-9-11-31/h1-7,14-15,17,28-29H,8-13,16,18H2.
What are the key properties of 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine?
1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine has a molecular weight of 438.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[5-[2-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 130373316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).