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

C23H26F3N5O2 — CID 165112838

IUPAC4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
SMILESCc1cnn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1C(F)(F)F
InChIInChI=1S/C23H26F3N5O2/c1-15-14-28-31(21(15)23(24,25)26)16-4-6-17(7-5-16)33-22-18-3-2-8-27-19(18)13-20(29-22)30-9-11-32-12-10-30/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3
InChIKeyWUHGHLIHUDVOQC-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.55
Rot. Bonds4

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

4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (PubChem CID 165112838) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
PubChem CID165112838
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
SMILESCc1cnn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1C(F)(F)F
InChIInChI=1S/C23H26F3N5O2/c1-15-14-28-31(21(15)23(24,25)26)16-4-6-17(7-5-16)33-22-18-3-2-8-27-19(18)13-20(29-22)30-9-11-32-12-10-30/h2-3,8,13-14,16-17H,4-7,9-12H2,1H3
InChIKeyWUHGHLIHUDVOQC-UHFFFAOYSA-N
XLogP4.55
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The IUPAC name of 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine (CID 165112838) is 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is Cc1cnn(C2CCC(Oc3nc(N4CCOCC4)cc4ncccc34)CC2)c1C(F)(F)F.
What is the InChIKey of 4-[5-[4-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
The InChIKey is WUHGHLIHUDVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-15-14-28-31(21(15)23(24,25)26)16-4-6-17(7-5-16)33-22-18-3-2-8-27-19(18)13-20(29-22)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-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine?
4-[5-[4-[4-methyl-5-(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-5-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine is sourced from PubChem (CID 165112838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).