6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

C129H164Cl3FN20O13S2 — CID 159948476

About 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 159948476) has the molecular formula C129H164Cl3FN20O13S2 and a molecular weight of 2392.35 g/mol. Its IUPAC name is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
• PubChem CID: 159948476
• Molecular Formula: C129H164Cl3FN20O13S2
• Molecular Weight: 2392.35 g/mol
• Exact Mass: 2389.13
• IUPAC Name: 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)s3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)CC2c2ccccc2)CC1
• InChI: InChI=1S/C34H40ClN5O4.C32H38ClN5O4S.C32H44FN5O3.C31H42ClN5O2S/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43;1-20-17-28(33)35-22(3)29(20)30(39)34-14-11-21(2)36-15-12-24(13-16-36)38-26(23-7-5-4-6-8-23)19-37(32(38)42)18-25-9-10-27(43-25)31(40)41;1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)40)19-26-10-7-17-39-26/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43);4-10,17,21,24,26H,11-16,18-19H2,1-3H3,(H,34,39)(H,40,41);4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39);4-6,8-9,18,22,25-27H,7,10-17,19-20H2,1-3H3,(H,33,38)/t23?,29-;21?,26-;;22?,26?,27-/m00.0/s1
• InChIKey: OBUJHCIXHFEKCE-ZRWPYXRLSA-N
• XLogP: 21.33
• TPSA: 351.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.35
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 159948476) is 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)s3)C[C@H]2c2ccccc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=S)N(CC3CCCO3)C[C@H]2c2ccccc2)CC1.Cc1cc(F)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)CC2c2ccccc2)CC1.

What is the InChIKey of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?

The InChIKey is OBUJHCIXHFEKCE-ZRWPYXRLSA-N. The full InChI is InChI=1S/C34H40ClN5O4.C32H38ClN5O4S.C32H44FN5O3.C31H42ClN5O2S/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43;1-20-17-28(33)35-22(3)29(20)30(39)34-14-11-21(2)36-15-12-24(13-16-36)38-26(23-7-5-4-6-8-23)19-37(32(38)42)18-25-9-10-27(43-25)31(40)41;1-22-19-29(33)35-24(3)30(22)31(39)34-14-9-23(2)36-15-10-27(11-16-36)38-28(26-7-5-4-6-8-26)21-37(32(38)40)20-25-12-17-41-18-13-25;1-21-18-28(32)34-23(3)29(21)30(38)33-14-11-22(2)35-15-12-25(13-16-35)37-27(24-8-5-4-6-9-24)20-36(31(37)40)19-26-10-7-17-39-26/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43);4-10,17,21,24,26H,11-16,18-19H2,1-3H3,(H,34,39)(H,40,41);4-8,19,23,25,27-28H,9-18,20-21H2,1-3H3,(H,34,39);4-6,8-9,18,22,25-27H,7,10-17,19-20H2,1-3H3,(H,33,38)/t23?,29-;21?,26-;;22?,26?,27-/m00.0/s1.

What are the key properties of 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide?

6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2392.35 g/mol, XLogP of 21.33, 38 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-(oxolan-2-ylmethyl)-5-phenyl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;4-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]benzoic acid;5-[[(4R)-3-[1-[4-[(6-chloro-2,4-dimethylpyridine-3-carbonyl)amino]butan-2-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]thiophene-2-carboxylic acid;6-fluoro-2,4-dimethyl-N-[3-[4-[3-(oxan-4-ylmethyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 159948476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).