(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H21N5O — CID 3378385

IUPAC(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H21N5O/c30-24(29-14-12-28(13-15-29)22-8-4-5-11-26-22)21-10-9-19-16-25-17-20(23(19)27-21)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyNUZZBGFDILBJRX-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.65
Rot. Bonds3

About (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3378385) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3378385
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H21N5O/c30-24(29-14-12-28(13-15-29)22-8-4-5-11-26-22)21-10-9-19-16-25-17-20(23(19)27-21)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2
InChIKeyNUZZBGFDILBJRX-UHFFFAOYSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3378385) is (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NUZZBGFDILBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(29-14-12-28(13-15-29)22-8-4-5-11-26-22)21-10-9-19-16-25-17-20(23(19)27-21)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2.
What are the key properties of (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 395.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3378385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).