6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

C21H22F3N5O — CID 24735360

IUPAC6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESO=c1c2ccc(C(F)(F)F)nc2ccn1CCN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)19-4-3-17-18(26-19)5-7-29(20(17)30)13-12-27-8-10-28(11-9-27)15-16-2-1-6-25-14-16/h1-7,14H,8-13,15H2
InChIKeyATOXBZKJJYCSFO-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.63
Rot. Bonds5

About 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (PubChem CID 24735360) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
PubChem CID24735360
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESO=c1c2ccc(C(F)(F)F)nc2ccn1CCN1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)19-4-3-17-18(26-19)5-7-29(20(17)30)13-12-27-8-10-28(11-9-27)15-16-2-1-6-25-14-16/h1-7,14H,8-13,15H2
InChIKeyATOXBZKJJYCSFO-UHFFFAOYSA-N
XLogP2.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one with MolForge

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Related Compounds

1-(pyridin-3-ylmethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
CID 24732998
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290509
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
12-(pyridin-3-ylmethyl)-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92570705
4-benzyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
CID 24733018
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
(E)-4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-enoic acid
CID 60949229

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (CID 24735360) is 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is O=c1c2ccc(C(F)(F)F)nc2ccn1CCN1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The InChIKey is ATOXBZKJJYCSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-21(23,24)19-4-3-17-18(26-19)5-7-29(20(17)30)13-12-27-8-10-28(11-9-27)15-16-2-1-6-25-14-16/h1-7,14H,8-13,15H2.
What are the key properties of 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one has a molecular weight of 417.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 24735360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).