7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C₂₂H₁₆F₂N₁₀ — CID 146490623

About 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490623) has the molecular formula C₂₂H₁₆F₂N₁₀ and a molecular weight of 458.44 g/mol. Its IUPAC name is 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 146490623
• Molecular Formula: C₂₂H₁₆F₂N₁₀
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.15
• IUPAC Name: 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1cnc2ccc(-c3c(-n4cc(F)cn4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
• InChI: InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)
• InChIKey: XECCFMIBBHXKBJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 117.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490623) is 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(-n4cc(F)cn4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12.

What is the InChIKey of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is XECCFMIBBHXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30).

What are the key properties of 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 458.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluoropyrazol-1-yl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146490623 — identifiers, structure, computed properties (public domain)

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