[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone

C19H16BrN5O3 — CID 133483451

IUPAC[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C19H16BrN5O3/c20-14-11-16-18(22-12-14)17(5-6-21-16)23-7-9-24(10-8-23)19(26)13-1-3-15(4-2-13)25(27)28/h1-6,11-12H,7-10H2
InChIKeyIVDWJFYEOREKIQ-UHFFFAOYSA-N
MW442.27 g/mol
LogP3.26
Rot. Bonds3

About [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 133483451) has the molecular formula C19H16BrN5O3 and a molecular weight of 442.27 g/mol. Its IUPAC name is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
PubChem CID133483451
Molecular FormulaC19H16BrN5O3
Molecular Weight442.27 g/mol
Exact Mass441.04
IUPAC Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C19H16BrN5O3/c20-14-11-16-18(22-12-14)17(5-6-21-16)23-7-9-24(10-8-23)19(26)13-1-3-15(4-2-13)25(27)28/h1-6,11-12H,7-10H2
InChIKeyIVDWJFYEOREKIQ-UHFFFAOYSA-N
XLogP3.26
TPSA92.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 133481788
[4-(8-methylquinolin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 133394293
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
(4-nitrophenyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 28526442
(4-bromophenyl)-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]methanone
CID 2914398
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2868624
3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
CID 133482708
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 2964859
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methanone
CID 46454720
(3-bromophenyl)-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]methanone
CID 2888815

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone (CID 133483451) is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1.
What is the InChIKey of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is IVDWJFYEOREKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O3/c20-14-11-16-18(22-12-14)17(5-6-21-16)23-7-9-24(10-8-23)19(26)13-1-3-15(4-2-13)25(27)28/h1-6,11-12H,7-10H2.
What are the key properties of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone?
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 442.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 133483451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).