3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C21H28N6O3 — CID 146068052

About 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 146068052) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• PubChem CID: 146068052
• Molecular Formula: C21H28N6O3
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.22
• IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• SMILES: CCOCCn1nc(-c2cocn2)c2c1CCN(C(=O)CCn1nc(C)cc1C)C2
• InChI: InChI=1S/C21H28N6O3/c1-4-29-10-9-27-19-5-7-25(12-17(19)21(24-27)18-13-30-14-22-18)20(28)6-8-26-16(3)11-15(2)23-26/h11,13-14H,4-10,12H2,1-3H3
• InChIKey: FQJLWRAQVIWWTF-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 91.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 146068052) is 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCOCCn1nc(-c2cocn2)c2c1CCN(C(=O)CCn1nc(C)cc1C)C2.

What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The InChIKey is FQJLWRAQVIWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-4-29-10-9-27-19-5-7-25(12-17(19)21(24-27)18-13-30-14-22-18)20(28)6-8-26-16(3)11-15(2)23-26/h11,13-14H,4-10,12H2,1-3H3.

What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 412.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[1-(2-ethoxyethyl)-3-(1,3-oxazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 146068052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).