N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane

C21H26FN7O — CID 144540346

About N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane

N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane (PubChem CID 144540346) has the molecular formula C21H26FN7O and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane
• PubChem CID: 144540346
• Molecular Formula: C21H26FN7O
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.22
• IUPAC Name: N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane
• SMILES: CC.[H]/N=C(\c1cnc2[nH]cc(C(=O)NC3(CN)CC3)c2n1)c1ccc(F)cc1NC
• InChI: InChI=1S/C19H20FN7O.C2H6/c1-23-13-6-10(20)2-3-11(13)15(22)14-8-25-17-16(26-14)12(7-24-17)18(28)27-19(9-21)4-5-19;1-2/h2-3,6-8,22-23H,4-5,9,21H2,1H3,(H,24,25)(H,27,28);1-2H3/b22-15-
• InChIKey: GLGBWVYNQMHHLX-YNYSCKANSA-N
• XLogP: 2.80
• TPSA: 132.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane?

The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane (CID 144540346) is N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane.

What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane?

The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane is CC.[H]/N=C(\c1cnc2[nH]cc(C(=O)NC3(CN)CC3)c2n1)c1ccc(F)cc1NC.

What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane?

The InChIKey is GLGBWVYNQMHHLX-YNYSCKANSA-N. The full InChI is InChI=1S/C19H20FN7O.C2H6/c1-23-13-6-10(20)2-3-11(13)15(22)14-8-25-17-16(26-14)12(7-24-17)18(28)27-19(9-21)4-5-19;1-2/h2-3,6-8,22-23H,4-5,9,21H2,1H3,(H,24,25)(H,27,28);1-2H3/b22-15-;.

What are the key properties of N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane?

N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane has a molecular weight of 411.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane is sourced from PubChem (CID 144540346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).