ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen

C26H33FN2O2 — CID 177064339

About ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen

ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen (PubChem CID 177064339) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen
• PubChem CID: 177064339
• Molecular Formula: C26H33FN2O2
• Molecular Weight: 424.56 g/mol
• Exact Mass: 424.25
• IUPAC Name: ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen
• SMILES: C.C#CC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2CC(=O)CCC)c(F)c1.CC.[H][H]
• InChI: InChI=1S/C23H21FN2O2.C2H6.CH4.H2/c1-5-7-17(27)13-19-23(25-21-10-14(3)8-9-26(19)21)22-15(4)11-16(12-18(22)24)20(28)6-2;1-2;;/h2,8-12H,5,7,13H2,1,3-4H3;1-2H3;1H4;1H
• InChIKey: YZVDAVJAYRILCB-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 51.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.56
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen?

The IUPAC name of ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen (CID 177064339) is ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen.

What is the SMILES notation for ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen?

The canonical SMILES for ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen is C.C#CC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2CC(=O)CCC)c(F)c1.CC.[H][H].

What is the InChIKey of ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen?

The InChIKey is YZVDAVJAYRILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2.C2H6.CH4.H2/c1-5-7-17(27)13-19-23(25-21-10-14(3)8-9-26(19)21)22-15(4)11-16(12-18(22)24)20(28)6-2;1-2;;/h2,8-12H,5,7,13H2,1,3-4H3;1-2H3;1H4;1H.

What are the key properties of ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen?

ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen has a molecular weight of 424.56 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen is sourced from PubChem (CID 177064339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).