[3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

C25H25F2N7O — CID 170683092

About [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

[3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (PubChem CID 170683092) has the molecular formula C25H25F2N7O and a molecular weight of 477.52 g/mol. Its IUPAC name is [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.

Molecular Properties

• Compound Name: [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
• PubChem CID: 170683092
• Molecular Formula: C25H25F2N7O
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.21
• IUPAC Name: [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
• SMILES: Nc1nc(N2CCC3(CC2)Cc2cc(F)ccc2C3N)cnc1C(=O)N1CCc2nc(F)ccc21
• InChI: InChI=1S/C25H25F2N7O/c26-15-1-2-16-14(11-15)12-25(22(16)28)6-9-33(10-7-25)20-13-30-21(23(29)32-20)24(35)34-8-5-17-18(34)3-4-19(27)31-17/h1-4,11,13,22H,5-10,12,28H2,(H2,29,32)
• InChIKey: XDROUBNHXPYDPT-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 114.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The IUPAC name of [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (CID 170683092) is [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.

What is the SMILES notation for [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The canonical SMILES for [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is Nc1nc(N2CCC3(CC2)Cc2cc(F)ccc2C3N)cnc1C(=O)N1CCc2nc(F)ccc21.

What is the InChIKey of [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

The InChIKey is XDROUBNHXPYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O/c26-15-1-2-16-14(11-15)12-25(22(16)28)6-9-33(10-7-25)20-13-30-21(23(29)32-20)24(35)34-8-5-17-18(34)3-4-19(27)31-17/h1-4,11,13,22H,5-10,12,28H2,(H2,29,32).

What are the key properties of [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?

[3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone has a molecular weight of 477.52 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is sourced from PubChem (CID 170683092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).