5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C₄₈H₄₈ClF₂N₁₁O₄ — CID 158541021

About 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide

5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 158541021) has the molecular formula C₄₈H₄₈ClF₂N₁₁O₄ and a molecular weight of 916.43 g/mol. Its IUPAC name is 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• PubChem CID: 158541021
• Molecular Formula: C₄₈H₄₈ClF₂N₁₁O₄
• Molecular Weight: 916.43 g/mol
• Exact Mass: 915.35
• IUPAC Name: 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
• SMILES: COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CCl.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C
• InChI: InChI=1S/C25H27FN6O2.C23H21ClFN5O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24;1-13-5-19(25)18(23(31)28-16-3-4-16)6-17(13)15-9-27-30(12-15)22-10-26-21-7-20(32-2)14(8-24)11-29(21)22/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33);5-7,9-12,16H,3-4,8H2,1-2H3,(H,28,31)
• InChIKey: HONDEZFISHPXDC-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 150.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.43
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?

The IUPAC name of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 158541021) is 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

What is the SMILES notation for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?

The canonical SMILES for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CCl.COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1CN(C)C.

What is the InChIKey of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?

The InChIKey is HONDEZFISHPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2.C23H21ClFN5O2/c1-15-7-21(26)20(25(33)29-18-5-6-18)8-19(15)16-10-28-32(14-16)24-11-27-23-9-22(34-4)17(12-30(2)3)13-31(23)24;1-13-5-19(25)18(23(31)28-16-3-4-16)6-17(13)15-9-27-30(12-15)22-10-26-21-7-20(32-2)14(8-24)11-29(21)22/h7-11,13-14,18H,5-6,12H2,1-4H3,(H,29,33);5-7,9-12,16H,3-4,8H2,1-2H3,(H,28,31).

What are the key properties of 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?

5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 916.43 g/mol, XLogP of 7.87, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[6-(chloromethyl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide;N-cyclopropyl-5-[1-[6-[(dimethylamino)methyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 158541021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158541021 — identifiers, structure, computed properties (public domain)

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