2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide

C20H11Cl2F4N5O — CID 130423608

About 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423608) has the molecular formula C20H11Cl2F4N5O and a molecular weight of 484.24 g/mol. Its IUPAC name is 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 130423608
• Molecular Formula: C20H11Cl2F4N5O
• Molecular Weight: 484.24 g/mol
• Exact Mass: 483.03
• IUPAC Name: 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)cc1F)Nc1cnc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C20H11Cl2F4N5O/c21-13-7-28-19-17(13)31-15(8-29-19)10-2-1-9(14(23)3-10)4-16(32)30-11-5-12(20(24,25)26)18(22)27-6-11/h1-3,5-8H,4H2,(H,28,29)(H,30,32)
• InChIKey: MNODVPJVROJAMI-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.24
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423608) is 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)cc1F)Nc1cnc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is MNODVPJVROJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F4N5O/c21-13-7-28-19-17(13)31-15(8-29-19)10-2-1-9(14(23)3-10)4-16(32)30-11-5-12(20(24,25)26)18(22)27-6-11/h1-3,5-8H,4H2,(H,28,29)(H,30,32).

What are the key properties of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?

2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 484.24 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).