3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine

C14H17BrN4 — CID 113394506

IUPAC3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
SMILESCC1CN(c2ccnc3cc(Br)cnc23)CCN1C
InChIInChI=1S/C14H17BrN4/c1-10-9-19(6-5-18(10)2)13-3-4-16-12-7-11(15)8-17-14(12)13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyGZBXQMXHPNIGRA-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.53
Rot. Bonds1

About 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine

3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine (PubChem CID 113394506) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
PubChem CID113394506
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
SMILESCC1CN(c2ccnc3cc(Br)cnc23)CCN1C
InChIInChI=1S/C14H17BrN4/c1-10-9-19(6-5-18(10)2)13-3-4-16-12-7-11(15)8-17-14(12)13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyGZBXQMXHPNIGRA-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
CID 133482284
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethylazetidine-3-carboxamide
CID 75509889
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
4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine
CID 133482831
1-(7-bromo-1,5-naphthyridin-4-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133483608
3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
CID 133481610
1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine
CID 133483896
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 133482933

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine (CID 113394506) is 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine is CC1CN(c2ccnc3cc(Br)cnc23)CCN1C.
What is the InChIKey of 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine?
The InChIKey is GZBXQMXHPNIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10-9-19(6-5-18(10)2)13-3-4-16-12-7-11(15)8-17-14(12)13/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine?
3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine has a molecular weight of 321.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 113394506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).