8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide

C₂₂H₂₂FN₇O₂ — CID 155788056

About 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide

8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 155788056) has the molecular formula C₂₂H₂₂FN₇O₂ and a molecular weight of 435.46 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
• PubChem CID: 155788056
• Molecular Formula: C₂₂H₂₂FN₇O₂
• Molecular Weight: 435.46 g/mol
• Exact Mass: 435.18
• IUPAC Name: 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide
• SMILES: CNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1
• InChI: InChI=1S/C22H22FN7O2/c1-12-8-18(29(3)28-12)15-10-26-22(30-11-17(21(31)24-2)27-20(15)30)25-9-14-13-6-7-32-19(13)5-4-16(14)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,31)(H,25,26)
• InChIKey: CELMXBCHNYHKML-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.46
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?

The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide (CID 155788056) is 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide.

What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?

The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide is CNC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.

What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?

The InChIKey is CELMXBCHNYHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-12-8-18(29(3)28-12)15-10-26-22(30-11-17(21(31)24-2)27-20(15)30)25-9-14-13-6-7-32-19(13)5-4-16(14)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,24,31)(H,25,26).

What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide?

8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,5-dimethylpyrazol-3-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-methylimidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 155788056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155788056 — identifiers, structure, computed properties (public domain)

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