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

C21H23N5O — CID 149083889

IUPAC1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)cnc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-10-17-9-18(13-24-21(17)14-23-19)16-3-2-4-22-12-16/h2-4,9-10,12-14H,5-8,11,15H2,1H3
InChIKeyQQWBMUWCLIPURE-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.05
Rot. Bonds5

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

1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one (PubChem CID 149083889) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
PubChem CID149083889
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)cnc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-10-17-9-18(13-24-21(17)14-23-19)16-3-2-4-22-12-16/h2-4,9-10,12-14H,5-8,11,15H2,1H3
InChIKeyQQWBMUWCLIPURE-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-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
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-[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-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)acetamide
CID 138589967
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-[5-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-1,7-naphthyridin-3-yl]-3-pyridinyl]propan-1-one
CID 159131291
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337
1-(4-methoxypiperidin-1-yl)-3-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 148782259
1-(2-methylimidazol-1-yl)-3-(6-pyridin-3-ylisoquinolin-3-yl)propan-2-one
CID 160816183
1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one (CID 149083889) is 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one is CN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)cnc3cn2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one?
The InChIKey is QQWBMUWCLIPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-10-17-9-18(13-24-21(17)14-23-19)16-3-2-4-22-12-16/h2-4,9-10,12-14H,5-8,11,15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one?
1-(4-methylpiperazin-1-yl)-3-(3-pyridin-3-yl-1,7-naphthyridin-6-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-(3-pyridin-3-yl-1,7-naphthyridin-6-yl)propan-2-one is sourced from PubChem (CID 149083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).