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

C20H24N6O — CID 159595105

IUPAC1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
SMILES[2H]C([2H])([2H])N1CCN(CC(=O)Cc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C20H24N6O/c1-24-5-7-26(8-6-24)14-18(27)9-17-10-20-15(11-21-17)3-4-19(23-20)16-12-22-25(2)13-16/h3-4,10-13H,5-9,14H2,1-2H3/i1D3
InChIKeyMKSTWKIOLMYSOH-FIBGUPNXSA-N
MW367.47 g/mol
LogP1.39
Rot. Bonds6

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

1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one (PubChem CID 159595105) has the molecular formula C20H24N6O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
PubChem CID159595105
Molecular FormulaC20H24N6O
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
SMILES[2H]C([2H])([2H])N1CCN(CC(=O)Cc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1
InChIInChI=1S/C20H24N6O/c1-24-5-7-26(8-6-24)14-18(27)9-17-10-20-15(11-21-17)3-4-19(23-20)16-12-22-25(2)13-16/h3-4,10-13H,5-9,14H2,1-2H3/i1D3
InChIKeyMKSTWKIOLMYSOH-FIBGUPNXSA-N
XLogP1.39
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
CID 159638951
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
CID 160947162
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162264664
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
1-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-3-morpholin-4-ylpropan-2-one
CID 153111580
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974
1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293
1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 162116622
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one (CID 159595105) is 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one is [2H]C([2H])([2H])N1CCN(CC(=O)Cc2cc3nc(-c4cnn(C)c4)ccc3cn2)CC1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one?
The InChIKey is MKSTWKIOLMYSOH-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-5-7-26(8-6-24)14-18(27)9-17-10-20-15(11-21-17)3-4-19(23-20)16-12-22-25(2)13-16/h3-4,10-13H,5-9,14H2,1-2H3/i1D3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one?
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one has a molecular weight of 367.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 159595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).