6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine

C₂₄H₂₁N₇O — CID 155587788

About 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587788) has the molecular formula C₂₄H₂₁N₇O and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
• PubChem CID: 155587788
• Molecular Formula: C₂₄H₂₁N₇O
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.18
• IUPAC Name: 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
• SMILES: COc1ccn2c(-c3cc(NCc4ccc(-c5cnc(C)nc5)cc4)ncn3)cnc2c1
• InChI: InChI=1S/C24H21N7O/c1-16-25-12-19(13-26-16)18-5-3-17(4-6-18)11-27-23-10-21(29-15-30-23)22-14-28-24-9-20(32-2)7-8-31(22)24/h3-10,12-15H,11H2,1-2H3,(H,27,29,30)
• InChIKey: KEOFEULUUNWWKT-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 90.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?

The IUPAC name of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587788) is 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine.

What is the SMILES notation for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?

The canonical SMILES for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine is COc1ccn2c(-c3cc(NCc4ccc(-c5cnc(C)nc5)cc4)ncn3)cnc2c1.

What is the InChIKey of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?

The InChIKey is KEOFEULUUNWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-16-25-12-19(13-26-16)18-5-3-17(4-6-18)11-27-23-10-21(29-15-30-23)22-14-28-24-9-20(32-2)7-8-31(22)24/h3-10,12-15H,11H2,1-2H3,(H,27,29,30).

What are the key properties of 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine?

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 423.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155587788 — identifiers, structure, computed properties (public domain)

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