2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid

C26H21F2N7O4 — CID 71280245

About 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid

2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid (PubChem CID 71280245) has the molecular formula C26H21F2N7O4 and a molecular weight of 533.50 g/mol. Its IUPAC name is 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 71280245
• Molecular Formula: C26H21F2N7O4
• Molecular Weight: 533.50 g/mol
• Exact Mass: 533.16
• IUPAC Name: 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid
• SMILES: Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(CC(=O)O)c3)cn12
• InChI: InChI=1S/C26H21F2N7O4/c1-14-2-3-15(23-32-25(39-33-23)17-7-26(27,28)8-17)6-19(14)31-24(38)20-10-29-21-5-4-16(12-35(20)21)18-9-30-34(11-18)13-22(36)37/h2-6,9-12,17H,7-8,13H2,1H3,(H,31,38)(H,36,37)
• InChIKey: WMOGDCLNSOMBFC-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 140.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.50
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid?

The IUPAC name of 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid (CID 71280245) is 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid.

What is the SMILES notation for 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid?

The canonical SMILES for 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(CC(=O)O)c3)cn12.

What is the InChIKey of 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid?

The InChIKey is WMOGDCLNSOMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N7O4/c1-14-2-3-15(23-32-25(39-33-23)17-7-26(27,28)8-17)6-19(14)31-24(38)20-10-29-21-5-4-16(12-35(20)21)18-9-30-34(11-18)13-22(36)37/h2-6,9-12,17H,7-8,13H2,1H3,(H,31,38)(H,36,37).

What are the key properties of 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid?

2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid has a molecular weight of 533.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 71280245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).