3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid

C32H42N4O2 — CID 20664512

About 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid

3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 20664512) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
• PubChem CID: 20664512
• Molecular Formula: C32H42N4O2
• Molecular Weight: 514.71 g/mol
• Exact Mass: 514.33
• IUPAC Name: 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid
• SMILES: Cc1cccc(C2CN(C(CC3CCC3)C(=O)O)CC2CN2CCC(c3cnc4cc(C)ccn34)CC2)c1
• InChI: InChI=1S/C32H42N4O2/c1-22-5-3-8-26(15-22)28-21-35(29(32(37)38)17-24-6-4-7-24)20-27(28)19-34-12-10-25(11-13-34)30-18-33-31-16-23(2)9-14-36(30)31/h3,5,8-9,14-16,18,24-25,27-29H,4,6-7,10-13,17,19-21H2,1-2H3,(H,37,38)
• InChIKey: ZTXMXPLHIONQIQ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 61.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.71
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?

The IUPAC name of 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid (CID 20664512) is 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid.

What is the SMILES notation for 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?

The canonical SMILES for 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid is Cc1cccc(C2CN(C(CC3CCC3)C(=O)O)CC2CN2CCC(c3cnc4cc(C)ccn34)CC2)c1.

What is the InChIKey of 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?

The InChIKey is ZTXMXPLHIONQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-22-5-3-8-26(15-22)28-21-35(29(32(37)38)17-24-6-4-7-24)20-27(28)19-34-12-10-25(11-13-34)30-18-33-31-16-23(2)9-14-36(30)31/h3,5,8-9,14-16,18,24-25,27-29H,4,6-7,10-13,17,19-21H2,1-2H3,(H,37,38).

What are the key properties of 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid?

3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 514.71 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-2-[3-[[4-(7-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 20664512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).