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

C20H24N6O — CID 160947162

IUPAC1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
SMILES[2H]C([2H])([2H])n1cc(-c2cnc3cnc(CC(=O)CN4CCN(C)CC4)cc3c2)cn1
InChIInChI=1S/C20H24N6O/c1-24-3-5-26(6-4-24)14-19(27)9-18-8-15-7-16(10-22-20(15)12-21-18)17-11-23-25(2)13-17/h7-8,10-13H,3-6,9,14H2,1-2H3/i2D3
InChIKeySVGRKPXPNZZQRD-BMSJAHLVSA-N
MW367.47 g/mol
LogP1.39
Rot. Bonds6

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

1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one (PubChem CID 160947162) has the molecular formula C20H24N6O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
PubChem CID160947162
Molecular FormulaC20H24N6O
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one
SMILES[2H]C([2H])([2H])n1cc(-c2cnc3cnc(CC(=O)CN4CCN(C)CC4)cc3c2)cn1
InChIInChI=1S/C20H24N6O/c1-24-3-5-26(6-4-24)14-19(27)9-18-8-15-7-16(10-22-20(15)12-21-18)17-11-23-25(2)13-17/h7-8,10-13H,3-6,9,14H2,1-2H3/i2D3
InChIKeySVGRKPXPNZZQRD-BMSJAHLVSA-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-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
CID 158867553
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 160614109
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
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-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 148782259
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158347422
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)propan-2-one
CID 158712365

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one (CID 160947162) is 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one is [2H]C([2H])([2H])n1cc(-c2cnc3cnc(CC(=O)CN4CCN(C)CC4)cc3c2)cn1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one?
The InChIKey is SVGRKPXPNZZQRD-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-3-5-26(6-4-24)14-19(27)9-18-8-15-7-16(10-22-20(15)12-21-18)17-11-23-25(2)13-17/h7-8,10-13H,3-6,9,14H2,1-2H3/i2D3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one?
1-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-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-(4-methylpiperazin-1-yl)-3-[3-[1-(trideuteriomethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]propan-2-one is sourced from PubChem (CID 160947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).