N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide

C25H29F3N6O4S — CID 165112914

About N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide

N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165112914) has the molecular formula C25H29F3N6O4S and a molecular weight of 566.61 g/mol. Its IUPAC name is N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
• PubChem CID: 165112914
• Molecular Formula: C25H29F3N6O4S
• Molecular Weight: 566.61 g/mol
• Exact Mass: 566.19
• IUPAC Name: N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ccc(C(F)(F)F)cn4)CC3)c2c1
• InChI: InChI=1S/C25H29F3N6O4S/c1-39(35,36)33-18-12-20-21(29-15-18)13-23(34-8-10-37-11-9-34)32-24(20)38-19-5-3-17(4-6-19)31-22-7-2-16(14-30-22)25(26,27)28/h2,7,12-15,17,19,33H,3-6,8-11H2,1H3,(H,30,31)
• InChIKey: UFNZRTQQXDQKNV-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 118.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.61
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide?

The IUPAC name of N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165112914) is N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide.

What is the SMILES notation for N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide?

The canonical SMILES for N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide is CS(=O)(=O)Nc1cnc2cc(N3CCOCC3)nc(OC3CCC(Nc4ccc(C(F)(F)F)cn4)CC3)c2c1.

What is the InChIKey of N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide?

The InChIKey is UFNZRTQQXDQKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O4S/c1-39(35,36)33-18-12-20-21(29-15-18)13-23(34-8-10-37-11-9-34)32-24(20)38-19-5-3-17(4-6-19)31-22-7-2-16(14-30-22)25(26,27)28/h2,7,12-15,17,19,33H,3-6,8-11H2,1H3,(H,30,31).

What are the key properties of N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide?

N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 566.61 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-morpholin-4-yl-5-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).