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

C21H23N5O — CID 158847291

IUPAC1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)ncc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-9-17-10-21(16-3-2-4-22-12-16)24-14-18(17)13-23-19/h2-4,9-10,12-14H,5-8,11,15H2,1H3
InChIKeyIYZLSUJDLXFBQY-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.05
Rot. Bonds5

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

1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one (PubChem CID 158847291) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
PubChem CID158847291
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
SMILESCN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)ncc3cn2)CC1
InChIInChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-9-17-10-21(16-3-2-4-22-12-16)24-14-18(17)13-23-19/h2-4,9-10,12-14H,5-8,11,15H2,1H3
InChIKeyIYZLSUJDLXFBQY-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one (CID 158847291) is 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one is CN1CCN(CC(=O)Cc2cc3cc(-c4cccnc4)ncc3cn2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one?
The InChIKey is IYZLSUJDLXFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-5-7-26(8-6-25)15-20(27)11-19-9-17-10-21(16-3-2-4-22-12-16)24-14-18(17)13-23-19/h2-4,9-10,12-14H,5-8,11,15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one?
1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-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-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one is sourced from PubChem (CID 158847291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).