1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one

C21H23N5O — CID 162101609

IUPAC1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3nc(-c4cccnc4)ccc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-7-9-26(10-8-25)15-19(27)11-18-12-21-17(14-23-18)4-5-20(24-21)16-3-2-6-22-13-16/h2-6,12-14H,7-11,15H2,1H3
InChIKeyZEYPLKUXBJFXDM-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.05
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one

1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one (PubChem CID 162101609) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
PubChem CID162101609
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3nc(-c4cccnc4)ccc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-7-9-26(10-8-25)15-19(27)11-18-12-21-17(14-23-18)4-5-20(24-21)16-3-2-6-22-13-16/h2-6,12-14H,7-11,15H2,1H3
InChIKeyZEYPLKUXBJFXDM-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
CID 158847291
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
CID 149083889
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
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-methyl-1,4-diazepan-1-yl)-3-(6-pyridin-3-ylcinnolin-3-yl)propan-2-one
CID 147268962
1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 157466556
1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
CID 161345382
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162264664
2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide
CID 138588221
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one
CID 160816183
2-(4-methyl-1,4-diazepan-1-yl)-N-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one (CID 162101609) is 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one is CN1CCN(CC(=O)Cc2cc3nc(-c4cccnc4)ccc3cn2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one?
The InChIKey is ZEYPLKUXBJFXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-7-9-26(10-8-25)15-19(27)11-18-12-21-17(14-23-18)4-5-20(24-21)16-3-2-6-22-13-16/h2-6,12-14H,7-11,15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one?
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one has a molecular weight of 361.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one is sourced from PubChem (CID 162101609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).