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

C20H24BrFN4S — CID 87554509

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESFC1=CNC2=CC=CN(CCN3CCC(NCc4cc(Br)cs4)CC3)C2=C1
InChIInChI=1S/C20H24BrFN4S/c21-15-10-18(27-14-15)13-23-17-3-6-25(7-4-17)8-9-26-5-1-2-19-20(26)11-16(22)12-24-19/h1-2,5,10-12,14,17,23-24H,3-4,6-9,13H2
InChIKeyXYPHDRMMCMMTMK-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.08
Rot. Bonds6

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

N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (PubChem CID 87554509) has the molecular formula C20H24BrFN4S and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
PubChem CID87554509
Molecular FormulaC20H24BrFN4S
Molecular Weight451.41 g/mol
Exact Mass450.09
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine
SMILESFC1=CNC2=CC=CN(CCN3CCC(NCc4cc(Br)cs4)CC3)C2=C1
InChIInChI=1S/C20H24BrFN4S/c21-15-10-18(27-14-15)13-23-17-3-6-25(7-4-17)8-9-26-5-1-2-19-20(26)11-16(22)12-24-19/h1-2,5,10-12,14,17,23-24H,3-4,6-9,13H2
InChIKeyXYPHDRMMCMMTMK-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-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine (CID 87554509) is N-[(4-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-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is FC1=CNC2=CC=CN(CCN3CCC(NCc4cc(Br)cs4)CC3)C2=C1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is XYPHDRMMCMMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN4S/c21-15-10-18(27-14-15)13-23-17-3-6-25(7-4-17)8-9-26-5-1-2-19-20(26)11-16(22)12-24-19/h1-2,5,10-12,14,17,23-24H,3-4,6-9,13H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine?
N-[(4-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-[(4-bromothiophen-2-yl)methyl]-1-[2-(7-fluoro-5H-1,5-naphthyridin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 87554509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).