5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

C23H19N5O2S — CID 172600763

IUPAC5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCc1cnc(C#Cc2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)c(C)n1
InChIInChI=1S/C23H19N5O2S/c1-15-13-25-21(16(2)27-15)8-9-22-20-12-23(26-14-17(20)10-11-24-22)28-18-4-6-19(7-5-18)31(3,29)30/h4-7,10-14H,1-3H3,(H,26,28)
InChIKeyQCRHDKVZGJLYID-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.58
Rot. Bonds3

About 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine

5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (PubChem CID 172600763) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
PubChem CID172600763
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
SMILESCc1cnc(C#Cc2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)c(C)n1
InChIInChI=1S/C23H19N5O2S/c1-15-13-25-21(16(2)27-15)8-9-22-20-12-23(26-14-17(20)10-11-24-22)28-18-4-6-19(7-5-18)31(3,29)30/h4-7,10-14H,1-3H3,(H,26,28)
InChIKeyQCRHDKVZGJLYID-UHFFFAOYSA-N
XLogP3.58
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378
N-(4-methylsulfonylphenyl)-5-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethynyl]-2,6-naphthyridin-3-amine
CID 172600851
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
4-[[5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]-2,6-naphthyridin-3-yl]amino]benzenesulfonic acid
CID 172600003
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
CID 178017083
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine (CID 172600763) is 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is Cc1cnc(C#Cc2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)c(C)n1.
What is the InChIKey of 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
The InChIKey is QCRHDKVZGJLYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-15-13-25-21(16(2)27-15)8-9-22-20-12-23(26-14-17(20)10-11-24-22)28-18-4-6-19(7-5-18)31(3,29)30/h4-7,10-14H,1-3H3,(H,26,28).
What are the key properties of 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine?
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine has a molecular weight of 429.51 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).