2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid

C26H34FN3O3 — CID 146282075

About 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid (PubChem CID 146282075) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
• PubChem CID: 146282075
• Molecular Formula: C26H34FN3O3
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.26
• IUPAC Name: 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
• SMILES: Cc1ncc(-c2cnc(OCC3CC(C)C3)c(F)c2)c(N2CCC(C)(C)CC2)c1CC(=O)O
• InChI: InChI=1S/C26H34FN3O3/c1-16-9-18(10-16)15-33-25-22(27)11-19(13-29-25)21-14-28-17(2)20(12-23(31)32)24(21)30-7-5-26(3,4)6-8-30/h11,13-14,16,18H,5-10,12,15H2,1-4H3,(H,31,32)
• InChIKey: JFNPMYFRNGRHBT-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 75.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?

The IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid (CID 146282075) is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid.

What is the SMILES notation for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?

The canonical SMILES for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid is Cc1ncc(-c2cnc(OCC3CC(C)C3)c(F)c2)c(N2CCC(C)(C)CC2)c1CC(=O)O.

What is the InChIKey of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?

The InChIKey is JFNPMYFRNGRHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-16-9-18(10-16)15-33-25-22(27)11-19(13-29-25)21-14-28-17(2)20(12-23(31)32)24(21)30-7-5-26(3,4)6-8-30/h11,13-14,16,18H,5-10,12,15H2,1-4H3,(H,31,32).

What are the key properties of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid has a molecular weight of 455.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 146282075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).