ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one

C26H36N4O — CID 145200144

About ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one

ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one (PubChem CID 145200144) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one.

Molecular Properties

• Compound Name: ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one
• PubChem CID: 145200144
• Molecular Formula: C26H36N4O
• Molecular Weight: 420.60 g/mol
• Exact Mass: 420.29
• IUPAC Name: ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one
• SMILES: C/C(=C\C(=O)N1C=C(c2ccc3nc(C)cn3c2)C=CC1C)C1CCN(C)CC1.CC
• InChI: InChI=1S/C24H30N4O.C2H6/c1-17(20-9-11-26(4)12-10-20)13-24(29)28-16-22(6-5-19(28)3)21-7-8-23-25-18(2)14-27(23)15-21;1-2/h5-8,13-16,19-20H,9-12H2,1-4H3;1-2H3/b17-13+
• InChIKey: OARWNYANIZTMHH-IWSIBTJSSA-N
• XLogP: 5.08
• TPSA: 40.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one?

The IUPAC name of ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one (CID 145200144) is ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one.

What is the SMILES notation for ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one?

The canonical SMILES for ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one is C/C(=C\C(=O)N1C=C(c2ccc3nc(C)cn3c2)C=CC1C)C1CCN(C)CC1.CC.

What is the InChIKey of ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one?

The InChIKey is OARWNYANIZTMHH-IWSIBTJSSA-N. The full InChI is InChI=1S/C24H30N4O.C2H6/c1-17(20-9-11-26(4)12-10-20)13-24(29)28-16-22(6-5-19(28)3)21-7-8-23-25-18(2)14-27(23)15-21;1-2/h5-8,13-16,19-20H,9-12H2,1-4H3;1-2H3/b17-13+;.

What are the key properties of ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one?

ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one has a molecular weight of 420.60 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(E)-1-[2-methyl-5-(2-methylimidazo[1,2-a]pyridin-6-yl)-2H-pyridin-1-yl]-3-(1-methylpiperidin-4-yl)but-2-en-1-one is sourced from PubChem (CID 145200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).