3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C22H22F3N7OS — CID 175887907

IUPAC3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cn5cc(SC(F)(F)F)nc5cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H22F3N7OS/c1-2-15-8-16-17(28-21(15)33)7-14(9-26-16)11-30-3-5-31(6-4-30)19-12-32-13-20(34-22(23,24)25)29-18(32)10-27-19/h7-10,12-13H,2-6,11H2,1H3,(H,28,33)
InChIKeyRMGARHNFJOMTAB-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.46
Rot. Bonds5

About 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 175887907) has the molecular formula C22H22F3N7OS and a molecular weight of 489.53 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID175887907
Molecular FormulaC22H22F3N7OS
Molecular Weight489.53 g/mol
Exact Mass489.16
IUPAC Name3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4cn5cc(SC(F)(F)F)nc5cn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H22F3N7OS/c1-2-15-8-16-17(28-21(15)33)7-14(9-26-16)11-30-3-5-31(6-4-30)19-12-32-13-20(34-22(23,24)25)29-18(32)10-27-19/h7-10,12-13H,2-6,11H2,1H3,(H,28,33)
InChIKeyRMGARHNFJOMTAB-UHFFFAOYSA-N
XLogP3.46
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 175887907) is 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4cn5cc(SC(F)(F)F)nc5cn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is RMGARHNFJOMTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7OS/c1-2-15-8-16-17(28-21(15)33)7-14(9-26-16)11-30-3-5-31(6-4-30)19-12-32-13-20(34-22(23,24)25)29-18(32)10-27-19/h7-10,12-13H,2-6,11H2,1H3,(H,28,33).
What are the key properties of 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 489.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[2-(trifluoromethylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 175887907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).