[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide

C24H31N7O4S — CID 175780892

IUPAC[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide
SMILESCc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4cnc(CS(N)(=O)=O)cc34)CC2)nc1
InChIInChI=1S/C24H31N7O4S/c1-16-12-27-24(28-13-16)29-18-2-4-20(5-3-18)35-23-21-11-19(15-36(25,32)33)26-14-17(21)10-22(30-23)31-6-8-34-9-7-31/h10-14,18,20H,2-9,15H2,1H3,(H2,25,32,33)(H,27,28,29)
InChIKeyOPFPCIBNAMVKBJ-UHFFFAOYSA-N
MW513.62 g/mol
LogP2.16
Rot. Bonds7

About [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide

[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 175780892) has the molecular formula C24H31N7O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID175780892
Molecular FormulaC24H31N7O4S
Molecular Weight513.62 g/mol
Exact Mass513.22
IUPAC Name[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide
SMILESCc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4cnc(CS(N)(=O)=O)cc34)CC2)nc1
InChIInChI=1S/C24H31N7O4S/c1-16-12-27-24(28-13-16)29-18-2-4-20(5-3-18)35-23-21-11-19(15-36(25,32)33)26-14-17(21)10-22(30-23)31-6-8-34-9-7-31/h10-14,18,20H,2-9,15H2,1H3,(H2,25,32,33)(H,27,28,29)
InChIKeyOPFPCIBNAMVKBJ-UHFFFAOYSA-N
XLogP2.16
TPSA145.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

[7-morpholin-4-yl-5-[4-[[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
CID 175781293
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
CID 175633179
5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
CID 165113640
5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 165113010
N,N-dimethyl-2-[2-[[4-[[3-(methylsulfamoyl)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
CID 165113584
N-[7-morpholin-4-yl-5-[4-[(5-piperazin-1-ylpyrimidin-2-yl)amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
CID 165113388
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
CID 165113223
2-[2-[[4-[(3-iodo-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxy-N,N-dimethylacetamide
CID 165113573
N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
CID 165113612
N-[7-morpholin-4-yl-5-[4-(pyrimidin-2-ylamino)cyclohexyl]oxy-1,6-naphthyridin-3-yl]-N-[(4-nitrophenyl)methyl]methanesulfonamide
CID 165113032
2-[4-[[5-[(dimethylamino)methyl]pyrimidin-2-yl]amino]cyclohexyl]oxy-6-imino-4-morpholin-4-ylpyrimidin-1-amine
CID 170573053
N-[5-[4-[(5-cyanopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-N-[[2-(hydroxyamino)-3-methylimidazol-4-yl]methyl]methanesulfonamide
CID 165113074

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide (CID 175780892) is [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide is Cc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4cnc(CS(N)(=O)=O)cc34)CC2)nc1.
What is the InChIKey of [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is OPFPCIBNAMVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4S/c1-16-12-27-24(28-13-16)29-18-2-4-20(5-3-18)35-23-21-11-19(15-36(25,32)33)26-14-17(21)10-22(30-23)31-6-8-34-9-7-31/h10-14,18,20H,2-9,15H2,1H3,(H2,25,32,33)(H,27,28,29).
What are the key properties of [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide?
[5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 513.62 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-2,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 175780892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).