7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine

C14H14BrN5 — CID 104891886

IUPAC7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCn1ccc(CCNc2ccnc3cc(Br)cnc23)n1
InChIInChI=1S/C14H14BrN5/c1-20-7-4-11(19-20)2-5-16-12-3-6-17-13-8-10(15)9-18-14(12)13/h3-4,6-9H,2,5H2,1H3,(H,16,17)
InChIKeyNAERFLDMVYUTCW-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.78
Rot. Bonds4

About 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 104891886) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID104891886
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCn1ccc(CCNc2ccnc3cc(Br)cnc23)n1
InChIInChI=1S/C14H14BrN5/c1-20-7-4-11(19-20)2-5-16-12-3-6-17-13-8-10(15)9-18-14(12)13/h3-4,6-9H,2,5H2,1H3,(H,16,17)
InChIKeyNAERFLDMVYUTCW-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
4-N-[2-(1-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 106104004
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
4-bromo-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106105146
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 133482029
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483851
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine (CID 104891886) is 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine is Cn1ccc(CCNc2ccnc3cc(Br)cnc23)n1.
What is the InChIKey of 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is NAERFLDMVYUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-20-7-4-11(19-20)2-5-16-12-3-6-17-13-8-10(15)9-18-14(12)13/h3-4,6-9H,2,5H2,1H3,(H,16,17).
What are the key properties of 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 332.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).