1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one

C21H25N5O2 — CID 162116622

IUPAC1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C21H25N5O2/c1-25-13-17(12-24-25)21-8-15-7-18(22-10-16(15)11-23-21)9-19(27)14-26-5-3-20(28-2)4-6-26/h7-8,10-13,20H,3-6,9,14H2,1-2H3
InChIKeyZGVSZNYNYZBLHF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.25
Rot. Bonds6

About 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one

1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one (PubChem CID 162116622) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
PubChem CID162116622
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESCOC1CCN(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C21H25N5O2/c1-25-13-17(12-24-25)21-8-15-7-18(22-10-16(15)11-23-21)9-19(27)14-26-5-3-20(28-2)4-6-26/h7-8,10-13,20H,3-6,9,14H2,1-2H3
InChIKeyZGVSZNYNYZBLHF-UHFFFAOYSA-N
XLogP2.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one (CID 162116622) is 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one is COC1CCN(CC(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The InChIKey is ZGVSZNYNYZBLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-13-17(12-24-25)21-8-15-7-18(22-10-16(15)11-23-21)9-19(27)14-26-5-3-20(28-2)4-6-26/h7-8,10-13,20H,3-6,9,14H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one?
1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 162116622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).