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

C19H16BrClN4O — CID 133481788

IUPAC[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C19H16BrClN4O/c20-14-11-16-18(23-12-14)17(5-6-22-16)24-7-9-25(10-8-24)19(26)13-1-3-15(21)4-2-13/h1-6,11-12H,7-10H2
InChIKeyIMPIZUVGEMZKOJ-UHFFFAOYSA-N
MW431.72 g/mol
LogP4.01
Rot. Bonds2

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

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 133481788) has the molecular formula C19H16BrClN4O and a molecular weight of 431.72 g/mol. Its IUPAC name is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID133481788
Molecular FormulaC19H16BrClN4O
Molecular Weight431.72 g/mol
Exact Mass430.02
IUPAC Name[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C19H16BrClN4O/c20-14-11-16-18(23-12-14)17(5-6-22-16)24-7-9-25(10-8-24)19(26)13-1-3-15(21)4-2-13/h1-6,11-12H,7-10H2
InChIKeyIMPIZUVGEMZKOJ-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 133483451
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
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
1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
CID 133481610
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2822624
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
4-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide
CID 86969186

Frequently Asked Questions

What is the IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone (CID 133481788) is [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Br)cnc23)CC1.
What is the InChIKey of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is IMPIZUVGEMZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O/c20-14-11-16-18(23-12-14)17(5-6-22-16)24-7-9-25(10-8-24)19(26)13-1-3-15(21)4-2-13/h1-6,11-12H,7-10H2.
What are the key properties of [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 431.72 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 133481788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).