N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

C19H22N6O2S — CID 110242450

About N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (PubChem CID 110242450) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
• PubChem CID: 110242450
• Molecular Formula: C19H22N6O2S
• Molecular Weight: 398.49 g/mol
• Exact Mass: 398.15
• IUPAC Name: N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1nc(C2CCN(C(=O)c3ccc(C)s3)C2)c2nccnc21
• InChI: InChI=1S/C19H22N6O2S/c1-12-3-4-15(28-12)19(27)24-9-5-14(11-24)16-17-18(22-7-6-21-17)25(23-16)10-8-20-13(2)26/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,20,26)
• InChIKey: XUJXNSRMQPMBQO-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.49
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?

The IUPAC name of N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (CID 110242450) is N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc(C2CCN(C(=O)c3ccc(C)s3)C2)c2nccnc21.

What is the InChIKey of N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?

The InChIKey is XUJXNSRMQPMBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-12-3-4-15(28-12)19(27)24-9-5-14(11-24)16-17-18(22-7-6-21-17)25(23-16)10-8-20-13(2)26/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,20,26).

What are the key properties of N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?

N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 110242450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).