2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine

C17H15BrClN5 — CID 166335592

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine
SMILESClc1cc(N2CCN(c3ccc(Br)cn3)CC2)nc2ncccc12
InChIInChI=1S/C17H15BrClN5/c18-12-3-4-15(21-11-12)23-6-8-24(9-7-23)16-10-14(19)13-2-1-5-20-17(13)22-16/h1-5,10-11H,6-9H2
InChIKeyQNTHWRNJSZFTQQ-UHFFFAOYSA-N
MW404.70 g/mol
LogP3.77
Rot. Bonds2

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine (PubChem CID 166335592) has the molecular formula C17H15BrClN5 and a molecular weight of 404.70 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine
PubChem CID166335592
Molecular FormulaC17H15BrClN5
Molecular Weight404.70 g/mol
Exact Mass403.02
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine
SMILESClc1cc(N2CCN(c3ccc(Br)cn3)CC2)nc2ncccc12
InChIInChI=1S/C17H15BrClN5/c18-12-3-4-15(21-11-12)23-6-8-24(9-7-23)16-10-14(19)13-2-1-5-20-17(13)22-16/h1-5,10-11H,6-9H2
InChIKeyQNTHWRNJSZFTQQ-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
CID 167914587
4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-2-one
CID 154784481
1-(4-chloro-1,8-naphthyridin-2-yl)-3,3-dimethylpiperidin-4-ol
CID 166260412
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
CID 167863990
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-chlorobenzonitrile
CID 133285830
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
5-bromo-2-[(3S)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]pyridine
CID 67148219
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
8-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 175650465
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 133436211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine (CID 166335592) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine is Clc1cc(N2CCN(c3ccc(Br)cn3)CC2)nc2ncccc12.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine?
The InChIKey is QNTHWRNJSZFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5/c18-12-3-4-15(21-11-12)23-6-8-24(9-7-23)16-10-14(19)13-2-1-5-20-17(13)22-16/h1-5,10-11H,6-9H2.
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine has a molecular weight of 404.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine is sourced from PubChem (CID 166335592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).