(2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone

C23H24F3N7O2 — CID 69031669

About (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone

(2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone (PubChem CID 69031669) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone
• PubChem CID: 69031669
• Molecular Formula: C23H24F3N7O2
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.19
• IUPAC Name: (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone
• SMILES: Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCC(F)C4F)nc3)ncc2F)n1C1CCOCC1
• InChI: InChI=1S/C23H24F3N7O2/c1-13-27-12-19(33(13)15-5-8-35-9-6-15)20-17(25)11-29-23(31-20)30-14-2-3-18(28-10-14)22(34)32-7-4-16(24)21(32)26/h2-3,10-12,15-16,21H,4-9H2,1H3,(H,29,30,31)
• InChIKey: YKZZSKHJAHPDOP-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone?

The IUPAC name of (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone (CID 69031669) is (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone.

What is the SMILES notation for (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone?

The canonical SMILES for (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone is Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCC(F)C4F)nc3)ncc2F)n1C1CCOCC1.

What is the InChIKey of (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone?

The InChIKey is YKZZSKHJAHPDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-13-27-12-19(33(13)15-5-8-35-9-6-15)20-17(25)11-29-23(31-20)30-14-2-3-18(28-10-14)22(34)32-7-4-16(24)21(32)26/h2-3,10-12,15-16,21H,4-9H2,1H3,(H,29,30,31).

What are the key properties of (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone?

(2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone has a molecular weight of 487.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone is sourced from PubChem (CID 69031669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).