N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

C30H34FN5O — CID 175567965

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C30H34FN5O/c31-26-11-8-24(9-12-26)23-37-29-13-10-25-6-1-2-7-27(25)28(29)22-32-14-3-4-17-35-18-20-36(21-19-35)30-33-15-5-16-34-30/h1-2,5-13,15-16,32H,3-4,14,17-23H2
InChIKeyZWNCIRQTHIKPLR-UHFFFAOYSA-N
MW499.63 g/mol
LogP5.04
Rot. Bonds11

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 175567965) has the molecular formula C30H34FN5O and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID175567965
Molecular FormulaC30H34FN5O
Molecular Weight499.63 g/mol
Exact Mass499.27
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESFc1ccc(COc2ccc3ccccc3c2CNCCCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C30H34FN5O/c31-26-11-8-24(9-12-26)23-37-29-13-10-25-6-1-2-7-27(25)28(29)22-32-14-3-4-17-35-18-20-36(21-19-35)30-33-15-5-16-34-30/h1-2,5-13,15-16,32H,3-4,14,17-23H2
InChIKeyZWNCIRQTHIKPLR-UHFFFAOYSA-N
XLogP5.04
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.63
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 175567965) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is Fc1ccc(COc2ccc3ccccc3c2CNCCCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is ZWNCIRQTHIKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O/c31-26-11-8-24(9-12-26)23-37-29-13-10-25-6-1-2-7-27(25)28(29)22-32-14-3-4-17-35-18-20-36(21-19-35)30-33-15-5-16-34-30/h1-2,5-13,15-16,32H,3-4,14,17-23H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 499.63 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 175567965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).