1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone

C23H27FN6O — CID 168888256

About 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone

1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone (PubChem CID 168888256) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone
• PubChem CID: 168888256
• Molecular Formula: C23H27FN6O
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.22
• IUPAC Name: 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone
• SMILES: CC/C=C(/N=c1\ccc(N2CCNCC2)cn1C(C)=O)c1cc(F)c2nc(C)cn2c1
• InChI: InChI=1S/C23H27FN6O/c1-4-5-21(18-12-20(24)23-26-16(2)13-29(23)14-18)27-22-7-6-19(15-30(22)17(3)31)28-10-8-25-9-11-28/h5-7,12-15,25H,4,8-11H2,1-3H3/b21-5+,27-22+
• InChIKey: GCDJAAAVVBWISX-WCWOFEPBSA-N
• XLogP: 3.00
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone?

The IUPAC name of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone (CID 168888256) is 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone.

What is the SMILES notation for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone?

The canonical SMILES for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone is CC/C=C(/N=c1\ccc(N2CCNCC2)cn1C(C)=O)c1cc(F)c2nc(C)cn2c1.

What is the InChIKey of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone?

The InChIKey is GCDJAAAVVBWISX-WCWOFEPBSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-4-5-21(18-12-20(24)23-26-16(2)13-29(23)14-18)27-22-7-6-19(15-30(22)17(3)31)28-10-8-25-9-11-28/h5-7,12-15,25H,4,8-11H2,1-3H3/b21-5+,27-22+.

What are the key properties of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone?

1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone has a molecular weight of 422.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone is sourced from PubChem (CID 168888256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).