3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one

C33H54FN5O — CID 177040757

About 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one

3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one (PubChem CID 177040757) has the molecular formula C33H54FN5O and a molecular weight of 555.83 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one
• PubChem CID: 177040757
• Molecular Formula: C33H54FN5O
• Molecular Weight: 555.83 g/mol
• Exact Mass: 555.43
• IUPAC Name: 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one
• SMILES: CC.CCCC(C)=O.CCCc1c(N2CCNC(C)(C)C2)ccnc1C.CCCc1cn2cc(C)nc2cc1F
• InChI: InChI=1S/C15H25N3.C11H13FN2.C5H10O.C2H6/c1-5-6-13-12(2)16-8-7-14(13)18-10-9-17-15(3,4)11-18;1-3-4-9-7-14-6-8(2)13-11(14)5-10(9)12;1-3-4-5(2)6;1-2/h7-8,17H,5-6,9-11H2,1-4H3;5-7H,3-4H2,1-2H3;3-4H2,1-2H3;1-2H3
• InChIKey: FWBGYCFXPWMXRL-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.83
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one?

The IUPAC name of 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one (CID 177040757) is 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one.

What is the SMILES notation for 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one?

The canonical SMILES for 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one is CC.CCCC(C)=O.CCCc1c(N2CCNC(C)(C)C2)ccnc1C.CCCc1cn2cc(C)nc2cc1F.

What is the InChIKey of 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one?

The InChIKey is FWBGYCFXPWMXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C11H13FN2.C5H10O.C2H6/c1-5-6-13-12(2)16-8-7-14(13)18-10-9-17-15(3,4)11-18;1-3-4-9-7-14-6-8(2)13-11(14)5-10(9)12;1-3-4-5(2)6;1-2/h7-8,17H,5-6,9-11H2,1-4H3;5-7H,3-4H2,1-2H3;3-4H2,1-2H3;1-2H3.

What are the key properties of 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one?

3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one has a molecular weight of 555.83 g/mol, XLogP of 7.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one is sourced from PubChem (CID 177040757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).