2WI

C₁₉H₂₁FN₄O — CID 146536490

About 2WI

2WI (PubChem CID 146536490) has the molecular formula C₁₉H₂₁FN₄O and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide.

Molecular Properties

• Compound Name: 2WI
• PubChem CID: 146536490
• Molecular Formula: C₁₉H₂₁FN₄O
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.17
• IUPAC Name: 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
• SMILES: Cc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2
• InChI: InChI=1S/C19H21FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8H,6-7,9,21H2,1-3H3,(H,22,23)
• InChIKey: UXGSDFHEOAQQBF-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.40
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2WI?

The IUPAC name of 2WI (CID 146536490) is 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide.

What is the SMILES notation for 2WI?

The canonical SMILES for 2WI is Cc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2.

What is the InChIKey of 2WI?

The InChIKey is UXGSDFHEOAQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8H,6-7,9,21H2,1-3H3,(H,22,23).

What are the key properties of 2WI?

2WI has a molecular weight of 340.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2WI is sourced from PubChem (CID 146536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146536490 — identifiers, structure, computed properties (public domain)

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