1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

C17H24N4O — CID 97429167

About 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 97429167) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 97429167
• Molecular Formula: C17H24N4O
• Molecular Weight: 300.41 g/mol
• Exact Mass: 300.20
• IUPAC Name: 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CC[C@H](Cc2nc3cccnc3n2C(C)C)C1
• InChI: InChI=1S/C17H24N4O/c1-4-16(22)20-9-7-13(11-20)10-15-19-14-6-5-8-18-17(14)21(15)12(2)3/h5-6,8,12-13H,4,7,9-11H2,1-3H3/t13-/m1/s1
• InChIKey: HXKOUZLWJGCJMS-CYBMUJFWSA-N
• XLogP: 2.81
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 97429167) is 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

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

The canonical SMILES for 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](Cc2nc3cccnc3n2C(C)C)C1.

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

The InChIKey is HXKOUZLWJGCJMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-16(22)20-9-7-13(11-20)10-15-19-14-6-5-8-18-17(14)21(15)12(2)3/h5-6,8,12-13H,4,7,9-11H2,1-3H3/t13-/m1/s1.

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

1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 300.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 97429167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).