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

C22H24N6O — CID 171487996

IUPAC3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc5cncn5c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H24N6O/c1-2-17-10-20-21(25-22(17)29)9-16(11-24-20)13-26-5-7-27(8-6-26)19-4-3-18-12-23-15-28(18)14-19/h3-4,9-12,14-15H,2,5-8,13H2,1H3,(H,25,29)
InChIKeyBNCJMRLCUXOYLN-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.46
Rot. Bonds4

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

3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 171487996) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
PubChem CID171487996
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc5cncn5c4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H24N6O/c1-2-17-10-20-21(25-22(17)29)9-16(11-24-20)13-26-5-7-27(8-6-26)19-4-3-18-12-23-15-28(18)14-19/h3-4,9-12,14-15H,2,5-8,13H2,1H3,(H,25,29)
InChIKeyBNCJMRLCUXOYLN-UHFFFAOYSA-N
XLogP2.46
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
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-[8-(methylamino)-1,5-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166082745
6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 168856729

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one (CID 171487996) is 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4ccc5cncn5c4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is BNCJMRLCUXOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-17-10-20-21(25-22(17)29)9-16(11-24-20)13-26-5-7-27(8-6-26)19-4-3-18-12-23-15-28(18)14-19/h3-4,9-12,14-15H,2,5-8,13H2,1H3,(H,25,29).
What are the key properties of 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 388.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 171487996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).