3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C24H22F3N7O — CID 169228402

IUPAC3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(-c5n[nH]c(C(F)(F)F)n5)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H22F3N7O/c1-2-15-10-19-20(30-22(15)35)9-14(11-28-19)13-34-7-5-16(6-8-34)17-3-4-18(29-12-17)21-31-23(33-32-21)24(25,26)27/h3-5,9-12H,2,6-8,13H2,1H3,(H,30,35)(H,31,32,33)
InChIKeyLYXHPIGNLUEZTR-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.97
Rot. Bonds5

About 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 169228402) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID169228402
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4ccc(-c5n[nH]c(C(F)(F)F)n5)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C24H22F3N7O/c1-2-15-10-19-20(30-22(15)35)9-14(11-28-19)13-34-7-5-16(6-8-34)17-3-4-18(29-12-17)21-31-23(33-32-21)24(25,26)27/h3-5,9-12H,2,6-8,13H2,1H3,(H,30,35)(H,31,32,33)
InChIKeyLYXHPIGNLUEZTR-UHFFFAOYSA-N
XLogP3.97
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one with MolForge

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Related Compounds

6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 178182098
3-ethyl-7-[[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169090900
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
5-(4-ethylphenyl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 102029072
tert-butyl 4-[4-[[5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carbonyl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 176816699
3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 170060553
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
5-[1-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-N-[(1S,2R)-2-fluorocyclopropyl]pyridine-2-carboxamide
CID 172524842
3-ethyl-7-[[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 168889954
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228462

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 169228402) is 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CC=C(c4ccc(-c5n[nH]c(C(F)(F)F)n5)nc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is LYXHPIGNLUEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c1-2-15-10-19-20(30-22(15)35)9-14(11-28-19)13-34-7-5-16(6-8-34)17-3-4-18(29-12-17)21-31-23(33-32-21)24(25,26)27/h3-5,9-12H,2,6-8,13H2,1H3,(H,30,35)(H,31,32,33).
What are the key properties of 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 481.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 169228402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).