5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide

C25H23FN6O3 — CID 139346178

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide (PubChem CID 139346178) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide
• PubChem CID: 139346178
• Molecular Formula: C25H23FN6O3
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.18
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide
• SMILES: Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NC3COC3)c12
• InChI: InChI=1S/C25H23FN6O3/c1-14-16(3-2-7-27-14)19-10-29-25(28-9-18-17-6-8-35-21(17)5-4-20(18)26)32-13-30-22(23(19)32)24(33)31-15-11-34-12-15/h2-5,7,10,13,15H,6,8-9,11-12H2,1H3,(H,28,29)(H,31,33)
• InChIKey: WLGNJTZQLMKULW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 102.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.50
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide (CID 139346178) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide.

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

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NC3COC3)c12.

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

The InChIKey is WLGNJTZQLMKULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-14-16(3-2-7-27-14)19-10-29-25(28-9-18-17-6-8-35-21(17)5-4-20(18)26)32-13-30-22(23(19)32)24(33)31-15-11-34-12-15/h2-5,7,10,13,15H,6,8-9,11-12H2,1H3,(H,28,29)(H,31,33).

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)-N-(oxetan-3-yl)imidazo[1,5-c]pyrimidine-1-carboxamide is sourced from PubChem (CID 139346178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).