5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide

C22H23F3N6O2 — CID 172548676

IUPAC5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3cnc4c(C)c(C(F)(F)F)c(=O)[nH]c4c3)CC2)cn1
InChIInChI=1S/C22H23F3N6O2/c1-13-18(22(23,24)25)21(33)29-17-9-14(10-28-19(13)17)12-30-5-7-31(8-6-30)15-3-4-16(27-11-15)20(32)26-2/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,32)(H,29,33)/i2D3
InChIKeyOXDIROVTTRRYFK-BMSJAHLVSA-N
MW463.48 g/mol
LogP2.33
Rot. Bonds5

About 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide

5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide (PubChem CID 172548676) has the molecular formula C22H23F3N6O2 and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
PubChem CID172548676
Molecular FormulaC22H23F3N6O2
Molecular Weight463.48 g/mol
Exact Mass463.20
IUPAC Name5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3cnc4c(C)c(C(F)(F)F)c(=O)[nH]c4c3)CC2)cn1
InChIInChI=1S/C22H23F3N6O2/c1-13-18(22(23,24)25)21(33)29-17-9-14(10-28-19(13)17)12-30-5-7-31(8-6-30)15-3-4-16(27-11-15)20(32)26-2/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,32)(H,29,33)/i2D3
InChIKeyOXDIROVTTRRYFK-BMSJAHLVSA-N
XLogP2.33
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[[3-oxo-2-(trifluoromethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850823
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586953
5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982766
5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572861
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
5-[(3S)-4-[(8-fluoro-6-oxo-5H-benzo[c][1,5]naphthyridin-3-yl)methyl]-3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179045

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide (CID 172548676) is 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide is [2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3cnc4c(C)c(C(F)(F)F)c(=O)[nH]c4c3)CC2)cn1.
What is the InChIKey of 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?
The InChIKey is OXDIROVTTRRYFK-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-13-18(22(23,24)25)21(33)29-17-9-14(10-28-19(13)17)12-30-5-7-31(8-6-30)15-3-4-16(27-11-15)20(32)26-2/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,32)(H,29,33)/i2D3.
What are the key properties of 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?
5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172548676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).