5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine

C22H24F3N5O3S — CID 25120569

IUPAC5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)ccc12
InChIInChI=1S/C22H24F3N5O3S/c1-16-19-5-6-21(28-20(19)7-8-26-16)27-9-10-29-11-13-30(14-12-29)34(31,32)18-4-2-3-17(15-18)33-22(23,24)25/h2-8,15H,9-14H2,1H3,(H,27,28)
InChIKeyDBXYIGYDSFGTKQ-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.26
Rot. Bonds7

About 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine

5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine (PubChem CID 25120569) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
PubChem CID25120569
Molecular FormulaC22H24F3N5O3S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC Name5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
SMILESCc1nccc2nc(NCCN3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)ccc12
InChIInChI=1S/C22H24F3N5O3S/c1-16-19-5-6-21(28-20(19)7-8-26-16)27-9-10-29-11-13-30(14-12-29)34(31,32)18-4-2-3-17(15-18)33-22(23,24)25/h2-8,15H,9-14H2,1H3,(H,27,28)
InChIKeyDBXYIGYDSFGTKQ-UHFFFAOYSA-N
XLogP3.26
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine?
The IUPAC name of 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine (CID 25120569) is 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine?
The canonical SMILES for 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine is Cc1nccc2nc(NCCN3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)ccc12.
What is the InChIKey of 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine?
The InChIKey is DBXYIGYDSFGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3S/c1-16-19-5-6-21(28-20(19)7-8-26-16)27-9-10-29-11-13-30(14-12-29)34(31,32)18-4-2-3-17(15-18)33-22(23,24)25/h2-8,15H,9-14H2,1H3,(H,27,28).
What are the key properties of 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine?
5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine has a molecular weight of 495.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine is sourced from PubChem (CID 25120569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).