ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate

C24H27N3O4S — CID 178017083

IUPACethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CC1
InChIInChI=1S/C24H27N3O4S/c1-3-31-24(28)17-6-4-16(5-7-17)23-21-14-22(26-15-18(21)12-13-25-23)27-19-8-10-20(11-9-19)32(2,29)30/h8-17H,3-7H2,1-2H3,(H,26,27)
InChIKeyOTNWSCMTDDKPSD-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.61
Rot. Bonds6

About ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate

ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate (PubChem CID 178017083) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
PubChem CID178017083
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Nameethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CC1
InChIInChI=1S/C24H27N3O4S/c1-3-31-24(28)17-6-4-16(5-7-17)23-21-14-22(26-15-18(21)12-13-25-23)27-19-8-10-20(11-9-19)32(2,29)30/h8-17H,3-7H2,1-2H3,(H,26,27)
InChIKeyOTNWSCMTDDKPSD-UHFFFAOYSA-N
XLogP4.61
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
CID 172600044
5-(1-benzylpiperidin-4-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600857
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972
ethyl 4-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxylate
CID 58484998
5-[4-methyl-2-(pyrrolidin-3-ylmethyl)indazol-5-yl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600813
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
CID 172600109
N-(4-methylsulfonylphenyl)-5-[4-methyl-2-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-2,6-naphthyridin-3-amine
CID 172600324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate (CID 178017083) is ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CC1.
What is the InChIKey of ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate?
The InChIKey is OTNWSCMTDDKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-3-31-24(28)17-6-4-16(5-7-17)23-21-14-22(26-15-18(21)12-13-25-23)27-19-8-10-20(11-9-19)32(2,29)30/h8-17H,3-7H2,1-2H3,(H,26,27).
What are the key properties of ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate?
ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate has a molecular weight of 453.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 178017083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).