1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid

C120H125Cl5F10N20O10S5 — CID 160725869

About 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid

1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 160725869) has the molecular formula C120H125Cl5F10N20O10S5 and a molecular weight of 2539.05 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid
• PubChem CID: 160725869
• Molecular Formula: C120H125Cl5F10N20O10S5
• Molecular Weight: 2539.05 g/mol
• Exact Mass: 2534.70
• IUPAC Name: 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid
• SMILES: CC1(C)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.Cc1cnc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)s1.Cc1csc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)n1.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nc(C)cs3)ccc2F)(C(=O)O)CC1C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3ncc(C)s3)ccc2F)(C(=O)O)CC1C
• InChI: InChI=1S/5C24H25ClF2N4O2S/c1-23(2)14-24(21(32)33,8-10-31(23)13-15-4-3-5-16(25)20(15)27)12-18-17(26)6-7-19(29-18)30-22-28-9-11-34-22;2*1-14-13-34-23(28-14)30-20-7-6-18(26)19(29-20)11-24(22(32)33)8-9-31(15(2)10-24)12-16-4-3-5-17(25)21(16)27;2*1-14-10-24(22(32)33,8-9-31(14)13-16-4-3-5-17(25)21(16)27)11-19-18(26)6-7-20(29-19)30-23-28-12-15(2)34-23/h3-7,9,11H,8,10,12-14H2,1-2H3,(H,32,33)(H,28,29,30);2*3-7,13,15H,8-12H2,1-2H3,(H,32,33)(H,28,29,30);2*3-7,12,14H,8-11,13H2,1-2H3,(H,32,33)(H,28,29,30)/i;12D2;;13D2
• InChIKey: RTRWFSWNNGWMJJ-VVZJDVAVSA-N
• XLogP: 29.18
• TPSA: 391.75 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2539.05
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid?

The IUPAC name of 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid (CID 160725869) is 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid.

What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid?

The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid is CC1(C)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.Cc1cnc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)s1.Cc1csc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)n1.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3nc(C)cs3)ccc2F)(C(=O)O)CC1C.[2H]C([2H])(c1cccc(Cl)c1F)N1CCC(Cc2nc(Nc3ncc(C)s3)ccc2F)(C(=O)O)CC1C.

What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid?

The InChIKey is RTRWFSWNNGWMJJ-VVZJDVAVSA-N. The full InChI is InChI=1S/5C24H25ClF2N4O2S/c1-23(2)14-24(21(32)33,8-10-31(23)13-15-4-3-5-16(25)20(15)27)12-18-17(26)6-7-19(29-18)30-22-28-9-11-34-22;2*1-14-13-34-23(28-14)30-20-7-6-18(26)19(29-20)11-24(22(32)33)8-9-31(15(2)10-24)12-16-4-3-5-17(25)21(16)27;2*1-14-10-24(22(32)33,8-9-31(14)13-16-4-3-5-17(25)21(16)27)11-19-18(26)6-7-20(29-19)30-23-28-12-15(2)34-23/h3-7,9,11H,8,10,12-14H2,1-2H3,(H,32,33)(H,28,29,30);2*3-7,13,15H,8-12H2,1-2H3,(H,32,33)(H,28,29,30);2*3-7,12,14H,8-11,13H2,1-2H3,(H,32,33)(H,28,29,30)/i;12D2;;13D2;.

What are the key properties of 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid?

1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 2539.05 g/mol, XLogP of 29.18, 35 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 160725869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).