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

C24H32FN3O3 — CID 135216619

IUPAC2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(-c2ccc(F)nc2OCC(C)C)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C24H32FN3O3/c1-15(2)14-31-23-17(6-7-20(25)27-23)19-13-26-16(3)18(12-21(29)30)22(19)28-10-8-24(4,5)9-11-28/h6-7,13,15H,8-12,14H2,1-5H3,(H,29,30)
InChIKeyYXCAAWIUIDEZJJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.88
Rot. Bonds7

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

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid (PubChem CID 135216619) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
PubChem CID135216619
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(-c2ccc(F)nc2OCC(C)C)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C24H32FN3O3/c1-15(2)14-31-23-17(6-7-20(25)27-23)19-13-26-16(3)18(12-21(29)30)22(19)28-10-8-24(4,5)9-11-28/h6-7,13,15H,8-12,14H2,1-5H3,(H,29,30)
InChIKeyYXCAAWIUIDEZJJ-UHFFFAOYSA-N
XLogP4.88
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 135216339
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylpropoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 135216240
2-[5-[2,3-difluoro-4-[2-(4-fluorophenyl)ethoxy]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216178
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398914
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[6-(3-methylbutan-2-yloxy)-3-pyridinyl]-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398931
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(2-methoxy-4-pyridinyl)-2-methyl-3-pyridinyl]acetic acid
CID 135216314
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(2-phenylphenyl)-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398821
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-pyridinyl]acetic acid
CID 146281947
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]pyrimidin-2-yl]-2-methyl-3-pyridinyl]acetic acid
CID 135216211
2-[5-[5-[2-(2,6-difluorophenyl)ethoxy]-2-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216709
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-[2-(3-fluoro-4-methylphenoxy)ethoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 146282137
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[(3-methylcyclobutyl)methoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 146282075

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid (CID 135216619) is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid is Cc1ncc(-c2ccc(F)nc2OCC(C)C)c(N2CCC(C)(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?
The InChIKey is YXCAAWIUIDEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-15(2)14-31-23-17(6-7-20(25)27-23)19-13-26-16(3)18(12-21(29)30)22(19)28-10-8-24(4,5)9-11-28/h6-7,13,15H,8-12,14H2,1-5H3,(H,29,30).
What are the key properties of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid?
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid has a molecular weight of 429.54 g/mol, XLogP of 4.88, 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-[6-fluoro-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 135216619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).