2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H28N6O3 — CID 129024068

About 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 129024068) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 129024068
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: O=C(NC(C(=O)NCCC(=O)N1CCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
• InChI: InChI=1S/C22H28N6O3/c29-17(28-9-1-2-10-28)7-8-23-22(31)18(14-5-6-14)27-21(30)15-11-24-20-19(15)26-16(12-25-20)13-3-4-13/h11-14,18H,1-10H2,(H,23,31)(H,24,25)(H,27,30)
• InChIKey: YFZHGWBUCASESQ-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 129024068) is 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NC(C(=O)NCCC(=O)N1CCCC1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12.

What is the InChIKey of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is YFZHGWBUCASESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c29-17(28-9-1-2-10-28)7-8-23-22(31)18(14-5-6-14)27-21(30)15-11-24-20-19(15)26-16(12-25-20)13-3-4-13/h11-14,18H,1-10H2,(H,23,31)(H,24,25)(H,27,30).

What are the key properties of 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 129024068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).