5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine

C30H36N8O4 — CID 175633266

About 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine

5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine (PubChem CID 175633266) has the molecular formula C30H36N8O4 and a molecular weight of 572.67 g/mol. Its IUPAC name is 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine
• PubChem CID: 175633266
• Molecular Formula: C30H36N8O4
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.29
• IUPAC Name: 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine
• SMILES: Cc1ccc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(OC(C)c5cnc(N=O)n5C)cc34)CC2)nc1
• InChI: InChI=1S/C30H36N8O4/c1-19-4-9-27(32-16-19)34-21-5-7-22(8-6-21)42-29-24-14-23(41-20(2)26-18-33-30(36-39)37(26)3)17-31-25(24)15-28(35-29)38-10-12-40-13-11-38/h4,9,14-18,20-22H,5-8,10-13H2,1-3H3,(H,32,34)
• InChIKey: DPTXNSNHRHALTE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 128.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine?

The IUPAC name of 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine (CID 175633266) is 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine.

What is the SMILES notation for 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine?

The canonical SMILES for 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine is Cc1ccc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(OC(C)c5cnc(N=O)n5C)cc34)CC2)nc1.

What is the InChIKey of 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine?

The InChIKey is DPTXNSNHRHALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O4/c1-19-4-9-27(32-16-19)34-21-5-7-22(8-6-21)42-29-24-14-23(41-20(2)26-18-33-30(36-39)37(26)3)17-31-25(24)15-28(35-29)38-10-12-40-13-11-38/h4,9,14-18,20-22H,5-8,10-13H2,1-3H3,(H,32,34).

What are the key properties of 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine?

5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine has a molecular weight of 572.67 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[[3-[1-(3-methyl-2-nitrosoimidazol-4-yl)ethoxy]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 175633266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).