N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine

C20H24BrFN4S — CID 87553160

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESFC1=CNC2=CC=CN(CCN3CCC(NCc4ccc(Br)s4)CC3)C2=C1
InChIInChI=1S/C20H24BrFN4S/c21-20-4-3-17(27-20)14-23-16-5-8-25(9-6-16)10-11-26-7-1-2-18-19(26)12-15(22)13-24-18/h1-4,7,12-13,16,23-24H,5-6,8-11,14H2
InChIKeyZWFWKRXGQKJXOR-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.08
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (PubChem CID 87553160) has the molecular formula C20H24BrFN4S and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
PubChem CID87553160
Molecular FormulaC20H24BrFN4S
Molecular Weight451.41 g/mol
Exact Mass450.09
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESFC1=CNC2=CC=CN(CCN3CCC(NCc4ccc(Br)s4)CC3)C2=C1
InChIInChI=1S/C20H24BrFN4S/c21-20-4-3-17(27-20)14-23-16-5-8-25(9-6-16)10-11-26-7-1-2-18-19(26)12-15(22)13-24-18/h1-4,7,12-13,16,23-24H,5-6,8-11,14H2
InChIKeyZWFWKRXGQKJXOR-UHFFFAOYSA-N
XLogP4.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (CID 87553160) is N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is FC1=CNC2=CC=CN(CCN3CCC(NCc4ccc(Br)s4)CC3)C2=C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is ZWFWKRXGQKJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN4S/c21-20-4-3-17(27-20)14-23-16-5-8-25(9-6-16)10-11-26-7-1-2-18-19(26)12-15(22)13-24-18/h1-4,7,12-13,16,23-24H,5-6,8-11,14H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 451.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 87553160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).