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

C22H24F3N5O2 — CID 165112852

IUPAC4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
SMILESFC(F)(F)c1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)n1
InChIInChI=1S/C22H24F3N5O2/c23-22(24,25)19-7-9-30(28-19)15-3-5-16(6-4-15)32-21-17-2-1-8-26-18(17)14-20(27-21)29-10-12-31-13-11-29/h1-2,7-9,14-16H,3-6,10-13H2
InChIKeyDPJLLPSBVMNMNT-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.24
Rot. Bonds4

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

4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (PubChem CID 165112852) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
PubChem CID165112852
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
SMILESFC(F)(F)c1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)n1
InChIInChI=1S/C22H24F3N5O2/c23-22(24,25)19-7-9-30(28-19)15-3-5-16(6-4-15)32-21-17-2-1-8-26-18(17)14-20(27-21)29-10-12-31-13-11-29/h1-2,7-9,14-16H,3-6,10-13H2
InChIKeyDPJLLPSBVMNMNT-UHFFFAOYSA-N
XLogP4.24
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The IUPAC name of 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (CID 165112852) is 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is FC(F)(F)c1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)n1.
What is the InChIKey of 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The InChIKey is DPJLLPSBVMNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c23-22(24,25)19-7-9-30(28-19)15-3-5-16(6-4-15)32-21-17-2-1-8-26-18(17)14-20(27-21)29-10-12-31-13-11-29/h1-2,7-9,14-16H,3-6,10-13H2.
What are the key properties of 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine has a molecular weight of 447.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is sourced from PubChem (CID 165112852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).