cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol

C21H23N3O3S — CID 172600044

IUPACcis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(Nc2cc3c([C@@H]4CCC[C@H](O)C4)nccc3cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-28(26,27)18-7-5-16(6-8-18)24-20-12-19-15(13-23-20)9-10-22-21(19)14-3-2-4-17(25)11-14/h5-10,12-14,17,25H,2-4,11H2,1H3,(H,23,24)/t14-,17+/m1/s1
InChIKeyZTDZDDIBAPRNBI-PBHICJAKSA-N
MW397.50 g/mol
LogP3.80
Rot. Bonds4

About cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol

cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol (PubChem CID 172600044) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
PubChem CID172600044
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Namecis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1ccc(Nc2cc3c([C@@H]4CCC[C@H](O)C4)nccc3cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-28(26,27)18-7-5-16(6-8-18)24-20-12-19-15(13-23-20)9-10-22-21(19)14-3-2-4-17(25)11-14/h5-10,12-14,17,25H,2-4,11H2,1H3,(H,23,24)/t14-,17+/m1/s1
InChIKeyZTDZDDIBAPRNBI-PBHICJAKSA-N
XLogP3.80
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

ethyl 4-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexane-1-carboxylate
CID 178017083
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
1-methyl-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohex-2-en-1-ol
CID 172601080
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
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
5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
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 cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol (CID 172600044) is cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol is CS(=O)(=O)c1ccc(Nc2cc3c([C@@H]4CCC[C@H](O)C4)nccc3cn2)cc1.
What is the InChIKey of cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol?
The InChIKey is ZTDZDDIBAPRNBI-PBHICJAKSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-28(26,27)18-7-5-16(6-8-18)24-20-12-19-15(13-23-20)9-10-22-21(19)14-3-2-4-17(25)11-14/h5-10,12-14,17,25H,2-4,11H2,1H3,(H,23,24)/t14-,17+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol?
cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol has a molecular weight of 397.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 172600044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).