(2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid

C24H26ClF2N5O2 — CID 164812321

About (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid

(2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 164812321) has the molecular formula C24H26ClF2N5O2 and a molecular weight of 489.95 g/mol. Its IUPAC name is (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
• PubChem CID: 164812321
• Molecular Formula: C24H26ClF2N5O2
• Molecular Weight: 489.95 g/mol
• Exact Mass: 489.17
• IUPAC Name: (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
• SMILES: Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4ccc(F)c(Cl)c4)[C@H](C)C3)n2)n[nH]1
• InChI: InChI=1S/C24H26ClF2N5O2/c1-14-9-22(31-30-14)29-21-6-5-19(27)20(28-21)12-24(23(33)34)7-8-32(15(2)11-24)13-16-3-4-18(26)17(25)10-16/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1
• InChIKey: GDGKCEUXBQJFPY-OYLFLEFRSA-N
• XLogP: 5.09
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.95
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?

The IUPAC name of (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid (CID 164812321) is (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid.

What is the SMILES notation for (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?

The canonical SMILES for (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid is Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4ccc(F)c(Cl)c4)[C@H](C)C3)n2)n[nH]1.

What is the InChIKey of (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?

The InChIKey is GDGKCEUXBQJFPY-OYLFLEFRSA-N. The full InChI is InChI=1S/C24H26ClF2N5O2/c1-14-9-22(31-30-14)29-21-6-5-19(27)20(28-21)12-24(23(33)34)7-8-32(15(2)11-24)13-16-3-4-18(26)17(25)10-16/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1.

What are the key properties of (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?

(2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 489.95 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 164812321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).