2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17ClN6O2 — CID 78050683

About 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 78050683) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 78050683
• Molecular Formula: C18H17ClN6O2
• Molecular Weight: 384.83 g/mol
• Exact Mass: 384.11
• IUPAC Name: 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: COCC(C)NC(=O)c1c[nH]c2ncc(-n3cnc4cc(Cl)ccc43)nc12
• InChI: InChI=1S/C18H17ClN6O2/c1-10(8-27-2)23-18(26)12-6-20-17-16(12)24-15(7-21-17)25-9-22-13-5-11(19)3-4-14(13)25/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,23,26)
• InChIKey: QSTMMZLLJMFMPF-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.83
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 78050683) is 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COCC(C)NC(=O)c1c[nH]c2ncc(-n3cnc4cc(Cl)ccc43)nc12.

What is the InChIKey of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is QSTMMZLLJMFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-10(8-27-2)23-18(26)12-6-20-17-16(12)24-15(7-21-17)25-9-22-13-5-11(19)3-4-14(13)25/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,23,26).

What are the key properties of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 78050683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).