N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

C23H26BrFN4O — CID 164625157

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(Br)c(F)c4)CC3)c2n1
InChIInChI=1S/C23H26BrFN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-19(24)20(25)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3
InChIKeyZYUKGEKHLULSGR-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.34
Rot. Bonds7

About N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (PubChem CID 164625157) has the molecular formula C23H26BrFN4O and a molecular weight of 473.39 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
PubChem CID164625157
Molecular FormulaC23H26BrFN4O
Molecular Weight473.39 g/mol
Exact Mass472.13
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(Br)c(F)c4)CC3)c2n1
InChIInChI=1S/C23H26BrFN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-19(24)20(25)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3
InChIKeyZYUKGEKHLULSGR-UHFFFAOYSA-N
XLogP4.34
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-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-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (CID 164625157) is N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is COc1ccc2nccc(CCN3CCC(NCc4ccc(Br)c(F)c4)CC3)c2n1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is ZYUKGEKHLULSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrFN4O/c1-30-22-5-4-21-23(28-22)17(6-10-26-21)7-11-29-12-8-18(9-13-29)27-15-16-2-3-19(24)20(25)14-16/h2-6,10,14,18,27H,7-9,11-13,15H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 473.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 164625157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).