2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C31H39N5O3 — CID 118902993

About 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 118902993) has the molecular formula C31H39N5O3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 118902993
• Molecular Formula: C31H39N5O3
• Molecular Weight: 529.69 g/mol
• Exact Mass: 529.31
• IUPAC Name: 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2nc(-c3cccc(-c4cnn(C)c4)c3)cn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C31H39N5O3/c1-20-15-25-33-24(22-10-8-9-21(16-22)23-17-32-34(7)18-23)19-36(25)28(35-13-11-31(5,6)12-14-35)26(20)27(29(37)38)39-30(2,3)4/h8-10,15-19,27H,11-14H2,1-7H3,(H,37,38)
• InChIKey: HNLAVLFXTDYKGZ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 84.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.69
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 118902993) is 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2nc(-c3cccc(-c4cnn(C)c4)c3)cn2c(N2CCC(C)(C)CC2)c1C(OC(C)(C)C)C(=O)O.

What is the InChIKey of 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is HNLAVLFXTDYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O3/c1-20-15-25-33-24(22-10-8-9-21(16-22)23-17-32-34(7)18-23)19-36(25)28(35-13-11-31(5,6)12-14-35)26(20)27(29(37)38)39-30(2,3)4/h8-10,15-19,27H,11-14H2,1-7H3,(H,37,38).

What are the key properties of 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 529.69 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4,4-dimethylpiperidin-1-yl)-7-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 118902993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).