4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C26H27FN6O — CID 46360206

About 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 46360206) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

• Compound Name: 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
• PubChem CID: 46360206
• Molecular Formula: C26H27FN6O
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.22
• IUPAC Name: 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
• SMILES: O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C26H27FN6O/c27-21-11-9-20(10-12-21)19-33-24(30-22-5-4-14-29-26(22)33)7-3-8-25(34)32-17-15-31(16-18-32)23-6-1-2-13-28-23/h1-2,4-6,9-14H,3,7-8,15-19H2
• InChIKey: KGQOZJOEDVPJPU-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?

The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 46360206) is 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?

The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1.

What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?

The InChIKey is KGQOZJOEDVPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c27-21-11-9-20(10-12-21)19-33-24(30-22-5-4-14-29-26(22)33)7-3-8-25(34)32-17-15-31(16-18-32)23-6-1-2-13-28-23/h1-2,4-6,9-14H,3,7-8,15-19H2.

What are the key properties of 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 458.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 46360206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).