[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone

C18H16BrN5O — CID 133481833

IUPAC[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C18H16BrN5O/c19-13-11-15-17(22-12-13)16(4-6-21-15)23-7-9-24(10-8-23)18(25)14-3-1-2-5-20-14/h1-6,11-12H,7-10H2
InChIKeyAKMAFOCQBYOTJX-UHFFFAOYSA-N
MW398.26 g/mol
LogP2.75
Rot. Bonds2

About [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 133481833) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID133481833
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C18H16BrN5O/c19-13-11-15-17(22-12-13)16(4-6-21-15)23-7-9-24(10-8-23)18(25)14-3-1-2-5-20-14/h1-6,11-12H,7-10H2
InChIKeyAKMAFOCQBYOTJX-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 133481788
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 133483451
3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
CID 133482708
4-(7-bromo-1,5-naphthyridin-4-yl)-1,4-thiazepane
CID 113394491
3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
CID 133481610
[4-[(7-bromo-1,5-naphthyridin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133481723
[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9431923
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 133481833) is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(c2ccnc3cc(Br)cnc23)CC1.
What is the InChIKey of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is AKMAFOCQBYOTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c19-13-11-15-17(22-12-13)16(4-6-21-15)23-7-9-24(10-8-23)18(25)14-3-1-2-5-20-14/h1-6,11-12H,7-10H2.
What are the key properties of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 398.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 133481833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).