4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine

C23H26F3N5O2 — CID 165112977

About 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine

4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (PubChem CID 165112977) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
• PubChem CID: 165112977
• Molecular Formula: C23H26F3N5O2
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.20
• IUPAC Name: 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
• SMILES: Cc1cn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C23H26F3N5O2/c1-15-14-31(29-21(15)23(24,25)26)16-4-6-17(7-5-16)33-22-18-3-2-8-27-19(18)13-20(28-22)30-9-11-32-12-10-30/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3
• InChIKey: ZOPRSPZDUZBUSR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?

The IUPAC name of 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (CID 165112977) is 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.

What is the SMILES notation for 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?

The canonical SMILES for 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is Cc1cn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)nc1C(F)(F)F.

What is the InChIKey of 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?

The InChIKey is ZOPRSPZDUZBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-15-14-31(29-21(15)23(24,25)26)16-4-6-17(7-5-16)33-22-18-3-2-8-27-19(18)13-20(28-22)30-9-11-32-12-10-30/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3.

What are the key properties of 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?

4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine has a molecular weight of 461.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is sourced from PubChem (CID 165112977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).