2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one

C19H22N6O — CID 50996765

About 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one

2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 50996765) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 50996765
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
• SMILES: CC(C)C(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
• InChI: InChI=1S/C19H22N6O/c1-12(2)19(26)25-9-6-13(11-25)23-17-14(4-3-7-20-17)16-10-22-18-15(24-16)5-8-21-18/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,20,23)(H,21,22)
• InChIKey: GJFCCGNALMSJGQ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one (CID 50996765) is 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Nc2ncccc2-c2cnc3[nH]ccc3n2)C1.

What is the InChIKey of 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?

The InChIKey is GJFCCGNALMSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(2)19(26)25-9-6-13(11-25)23-17-14(4-3-7-20-17)16-10-22-18-15(24-16)5-8-21-18/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,20,23)(H,21,22).

What are the key properties of 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?

2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 350.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 50996765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).