2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide

C26H29FN6O2 — CID 67350656

About 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide

2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide (PubChem CID 67350656) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide
• PubChem CID: 67350656
• Molecular Formula: C26H29FN6O2
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.23
• IUPAC Name: 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide
• SMILES: CNCCNc1cccc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C
• InChI: InChI=1S/C26H29FN6O2/c1-16-6-4-7-17(2)24(16)32-26-25(31-22-11-10-18(27)14-33(22)26)23-19(30-13-12-29-3)8-5-9-20(23)35-15-21(28)34/h4-11,14,29-30,32H,12-13,15H2,1-3H3,(H2,28,34)
• InChIKey: ZPLKGEUBDBEJPK-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 105.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide?

The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide (CID 67350656) is 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide.

What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide?

The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide is CNCCNc1cccc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C.

What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide?

The InChIKey is ZPLKGEUBDBEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-16-6-4-7-17(2)24(16)32-26-25(31-22-11-10-18(27)14-33(22)26)23-19(30-13-12-29-3)8-5-9-20(23)35-15-21(28)34/h4-11,14,29-30,32H,12-13,15H2,1-3H3,(H2,28,34).

What are the key properties of 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide?

2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide has a molecular weight of 476.56 g/mol, XLogP of 4.00, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethylamino]phenoxy]acetamide is sourced from PubChem (CID 67350656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).