2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone

C24H25N7O — CID 149384314

IUPAC2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone
SMILES[2H]C([2H])([2H])N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7O/c1-29-5-7-31(8-6-29)24-11-17(3-4-25-24)23(32)12-21-9-18-10-22(20-15-28-30(2)16-20)27-14-19(18)13-26-21/h3-4,9-11,13-16H,5-8,12H2,1-2H3/i1D3
InChIKeyYMGSACDAUASVTD-FIBGUPNXSA-N
MW430.53 g/mol
LogP2.60
Rot. Bonds6

About 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone

2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone (PubChem CID 149384314) has the molecular formula C24H25N7O and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone
PubChem CID149384314
Molecular FormulaC24H25N7O
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone
SMILES[2H]C([2H])([2H])N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7O/c1-29-5-7-31(8-6-29)24-11-17(3-4-25-24)23(32)12-21-9-18-10-22(20-15-28-30(2)16-20)27-14-19(18)13-26-21/h3-4,9-11,13-16H,5-8,12H2,1-2H3/i1D3
InChIKeyYMGSACDAUASVTD-FIBGUPNXSA-N
XLogP2.60
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160774844
1-[2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147349266
2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147499444
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-([1,3]oxazolo[5,4-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158920877
1-[2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 162238500
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160683703
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157291499
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160699260
2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 157489149

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone?
The IUPAC name of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone (CID 149384314) is 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone is [2H]C([2H])([2H])N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)ccn2)CC1.
What is the InChIKey of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone?
The InChIKey is YMGSACDAUASVTD-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29-5-7-31(8-6-29)24-11-17(3-4-25-24)23(32)12-21-9-18-10-22(20-15-28-30(2)16-20)27-14-19(18)13-26-21/h3-4,9-11,13-16H,5-8,12H2,1-2H3/i1D3.
What are the key properties of 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone?
2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone has a molecular weight of 430.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2-[4-(trideuteriomethyl)piperazin-1-yl]-4-pyridinyl]ethanone is sourced from PubChem (CID 149384314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).