3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

C21H28N6O — CID 83272931

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 83272931) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 83272931
• Molecular Formula: C21H28N6O
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.23
• IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1cc(C)n(CCC(=O)N2CCC(c3nc4ccncc4n3C(C)C)C2)n1
• InChI: InChI=1S/C21H28N6O/c1-14(2)27-19-12-22-8-5-18(19)23-21(27)17-6-9-25(13-17)20(28)7-10-26-16(4)11-15(3)24-26/h5,8,11-12,14,17H,6-7,9-10,13H2,1-4H3
• InChIKey: BMOJWNCNEUAMSZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one (CID 83272931) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCC(c3nc4ccncc4n3C(C)C)C2)n1.

What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is BMOJWNCNEUAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14(2)27-19-12-22-8-5-18(19)23-21(27)17-6-9-25(13-17)20(28)7-10-26-16(4)11-15(3)24-26/h5,8,11-12,14,17H,6-7,9-10,13H2,1-4H3.

What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one?

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 380.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 83272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).