4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine

C20H18F3N3O3S — CID 70920174

IUPAC4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine
SMILESO=S(=O)(Cc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12)C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c21-20(22,23)30(27,28)13-19-16-2-1-7-24-18(16)12-17(25-19)14-3-5-15(6-4-14)26-8-10-29-11-9-26/h1-7,12H,8-11,13H2
InChIKeyICAZSUVMSXSFTO-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.57
Rot. Bonds4

About 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine

4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine (PubChem CID 70920174) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine
PubChem CID70920174
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine
SMILESO=S(=O)(Cc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12)C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c21-20(22,23)30(27,28)13-19-16-2-1-7-24-18(16)12-17(25-19)14-3-5-15(6-4-14)26-8-10-29-11-9-26/h1-7,12H,8-11,13H2
InChIKeyICAZSUVMSXSFTO-UHFFFAOYSA-N
XLogP3.57
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine (CID 70920174) is 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine is O=S(=O)(Cc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncccc12)C(F)(F)F.
What is the InChIKey of 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine?
The InChIKey is ICAZSUVMSXSFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c21-20(22,23)30(27,28)13-19-16-2-1-7-24-18(16)12-17(25-19)14-3-5-15(6-4-14)26-8-10-29-11-9-26/h1-7,12H,8-11,13H2.
What are the key properties of 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine?
4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine has a molecular weight of 437.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(trifluoromethylsulfonylmethyl)-1,6-naphthyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 70920174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).