5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C25H26FN9 — CID 168773752

About 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773752) has the molecular formula C25H26FN9 and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 168773752
• Molecular Formula: C25H26FN9
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.23
• IUPAC Name: 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: Cc1cnc2c(F)cc(-c3c[nH]c4nc(NCc5ccc(N6CCN(C)CC6)nc5)ncc34)cn12
• InChI: InChI=1S/C25H26FN9/c1-16-10-29-24-21(26)9-18(15-35(16)24)19-13-28-23-20(19)14-31-25(32-23)30-12-17-3-4-22(27-11-17)34-7-5-33(2)6-8-34/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H2,28,30,31,32)
• InChIKey: HWUXZPFBMPTWCB-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 90.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773752) is 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cnc2c(F)cc(-c3c[nH]c4nc(NCc5ccc(N6CCN(C)CC6)nc5)ncc34)cn12.

What is the InChIKey of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is HWUXZPFBMPTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN9/c1-16-10-29-24-21(26)9-18(15-35(16)24)19-13-28-23-20(19)14-31-25(32-23)30-12-17-3-4-22(27-11-17)34-7-5-33(2)6-8-34/h3-4,9-11,13-15H,5-8,12H2,1-2H3,(H2,28,30,31,32).

What are the key properties of 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?

5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 471.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-fluoro-3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).