4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)

C91H117Cl4N21O9S — CID 158573724

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide) (PubChem CID 158573724) has the molecular formula C91H117Cl4N21O9S and a molecular weight of 1822.95 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide).

Molecular Properties

• Compound Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)
• PubChem CID: 158573724
• Molecular Formula: C91H117Cl4N21O9S
• Molecular Weight: 1822.95 g/mol
• Exact Mass: 1819.78
• IUPAC Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)
• SMILES: C=S1(=O)CCCN1CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NCc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2cnccn2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C23H34ClN5O3S.2C23H28ClN5O2.C22H27ClN6O2/c1-23(2,21(30)19-14-18(24)13-16-15-26-27-20(16)19)17-5-9-28(10-6-17)22(31)25-7-11-29-8-4-12-33(29,3)32;2*1-23(2,21(30)19-11-18(24)10-16-14-27-28-20(16)19)17-5-8-29(9-6-17)22(31)26-13-15-4-3-7-25-12-15;1-22(2,20(30)18-10-16(23)9-14-11-27-28-19(14)18)15-3-7-29(8-4-15)21(31)26-13-17-12-24-5-6-25-17/h13-15,17,21,30H,3-12H2,1-2H3,(H,25,31)(H,26,27);2*3-4,7,10-12,14,17,21,30H,5-6,8-9,13H2,1-2H3,(H,26,31)(H,27,28);5-6,9-12,15,20,30H,3-4,7-8,13H2,1-2H3,(H,26,31)(H,27,28)/t21-,33?;2*21-;20-/m1111/s1
• InChIKey: HSJZALGBUCWPRN-LPLHTSGCSA-N
• XLogP: 15.31
• TPSA: 396.87 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.95
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)?

The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide) (CID 158573724) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide).

What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)?

The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide) is C=S1(=O)CCCN1CCNC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NCc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2cnccn2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.

What is the InChIKey of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)?

The InChIKey is HSJZALGBUCWPRN-LPLHTSGCSA-N. The full InChI is InChI=1S/C23H34ClN5O3S.2C23H28ClN5O2.C22H27ClN6O2/c1-23(2,21(30)19-14-18(24)13-16-15-26-27-20(16)19)17-5-9-28(10-6-17)22(31)25-7-11-29-8-4-12-33(29,3)32;2*1-23(2,21(30)19-11-18(24)10-16-14-27-28-20(16)19)17-5-8-29(9-6-17)22(31)26-13-15-4-3-7-25-12-15;1-22(2,20(30)18-10-16(23)9-14-11-27-28-19(14)18)15-3-7-29(8-4-15)21(31)26-13-17-12-24-5-6-25-17/h13-15,17,21,30H,3-12H2,1-2H3,(H,25,31)(H,26,27);2*3-4,7,10-12,14,17,21,30H,5-6,8-9,13H2,1-2H3,(H,26,31)(H,27,28);5-6,9-12,15,20,30H,3-4,7-8,13H2,1-2H3,(H,26,31)(H,27,28)/t21-,33?;2*21-;20-/m1111/s1.

What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide)?

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide) has a molecular weight of 1822.95 g/mol, XLogP of 15.31, 21 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyrazin-2-ylmethyl)piperidine-1-carboxamide;bis(4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide) is sourced from PubChem (CID 158573724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).