1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol

C22H23N3O3S — CID 172601080

IUPAC1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
SMILESCC1(O)C=C(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CCC1
InChIInChI=1S/C22H23N3O3S/c1-22(26)10-3-4-15(13-22)21-19-12-20(24-14-16(19)9-11-23-21)25-17-5-7-18(8-6-17)29(2,27)28/h5-9,11-14,26H,3-4,10H2,1-2H3,(H,24,25)
InChIKeyUIRIJENSJOXEGO-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.10
Rot. Bonds4

About 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol

1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol (PubChem CID 172601080) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
PubChem CID172601080
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
SMILESCC1(O)C=C(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CCC1
InChIInChI=1S/C22H23N3O3S/c1-22(26)10-3-4-15(13-22)21-19-12-20(24-14-16(19)9-11-23-21)25-17-5-7-18(8-6-17)29(2,27)28/h5-9,11-14,26H,3-4,10H2,1-2H3,(H,24,25)
InChIKeyUIRIJENSJOXEGO-UHFFFAOYSA-N
XLogP4.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol with MolForge

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Related Compounds

N-(4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2,6-naphthyridin-3-amine
CID 172600767
5-iodo-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600310
N-(4-methylsulfonylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2,6-naphthyridin-3-amine
CID 172600109
5-(cyclohexen-1-yl)-N-(4-methylsulfonylphenyl)isoquinolin-3-amine
CID 172601093
cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
CID 172600044
5-(2,4-dimethylindazol-5-yl)-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600926
5-[2-(3,5-dimethylpyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600763
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
CID 178017083
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888
5-[2-(5-amino-3-chloropyrazin-2-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600972

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol?
The IUPAC name of 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol (CID 172601080) is 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol is CC1(O)C=C(c2nccc3cnc(Nc4ccc(S(C)(=O)=O)cc4)cc23)CCC1.
What is the InChIKey of 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol?
The InChIKey is UIRIJENSJOXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-22(26)10-3-4-15(13-22)21-19-12-20(24-14-16(19)9-11-23-21)25-17-5-7-18(8-6-17)29(2,27)28/h5-9,11-14,26H,3-4,10H2,1-2H3,(H,24,25).
What are the key properties of 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol?
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol has a molecular weight of 409.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 172601080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).