GLASQSCBVQLXDO-UHFFFAOYSA-N

C₂₅H₂₅F₂N₅O₃ — CID 122617095

About GLASQSCBVQLXDO-UHFFFAOYSA-N

GLASQSCBVQLXDO-UHFFFAOYSA-N (PubChem CID 122617095) has the molecular formula C₂₅H₂₅F₂N₅O₃ and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-8-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

• Compound Name: GLASQSCBVQLXDO-UHFFFAOYSA-N
• PubChem CID: 122617095
• Molecular Formula: C₂₅H₂₅F₂N₅O₃
• Molecular Weight: 481.50 g/mol
• Exact Mass: 481.19
• IUPAC Name: 1-[2-(difluoromethoxy)phenyl]-8-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
• SMILES: COCCCNc1ncc(-c2ccc3c(=O)n4n(c3c2)C(c2ccccc2OC(F)F)CC4)cn1
• InChI: InChI=1S/C25H25F2N5O3/c1-34-12-4-10-28-25-29-14-17(15-30-25)16-7-8-19-21(13-16)32-20(9-11-31(32)23(19)33)18-5-2-3-6-22(18)35-24(26)27/h2-3,5-8,13-15,20,24H,4,9-12H2,1H3,(H,28,29,30)
• InChIKey: GLASQSCBVQLXDO-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.50
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of GLASQSCBVQLXDO-UHFFFAOYSA-N?

The IUPAC name of GLASQSCBVQLXDO-UHFFFAOYSA-N (CID 122617095) is 1-[2-(difluoromethoxy)phenyl]-8-[2-(3-methoxypropylamino)pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

What is the SMILES notation for GLASQSCBVQLXDO-UHFFFAOYSA-N?

The canonical SMILES for GLASQSCBVQLXDO-UHFFFAOYSA-N is COCCCNc1ncc(-c2ccc3c(=O)n4n(c3c2)C(c2ccccc2OC(F)F)CC4)cn1.

What is the InChIKey of GLASQSCBVQLXDO-UHFFFAOYSA-N?

The InChIKey is GLASQSCBVQLXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-34-12-4-10-28-25-29-14-17(15-30-25)16-7-8-19-21(13-16)32-20(9-11-31(32)23(19)33)18-5-2-3-6-22(18)35-24(26)27/h2-3,5-8,13-15,20,24H,4,9-12H2,1H3,(H,28,29,30).

What are the key properties of GLASQSCBVQLXDO-UHFFFAOYSA-N?

GLASQSCBVQLXDO-UHFFFAOYSA-N has a molecular weight of 481.50 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for GLASQSCBVQLXDO-UHFFFAOYSA-N is sourced from PubChem (CID 122617095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122617095 — identifiers, structure, computed properties (public domain)

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