5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole

C46H49Cl3N14O4S — CID 159540145

About 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole

5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole (PubChem CID 159540145) has the molecular formula C46H49Cl3N14O4S and a molecular weight of 1000.42 g/mol. Its IUPAC name is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
• PubChem CID: 159540145
• Molecular Formula: C46H49Cl3N14O4S
• Molecular Weight: 1000.42 g/mol
• Exact Mass: 998.28
• IUPAC Name: 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
• SMILES: CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
• InChI: InChI=1S/C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19)
• InChIKey: MECCFSDEYHYPKC-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 216.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1000.42
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?

The IUPAC name of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole (CID 159540145) is 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole.

What is the SMILES notation for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?

The canonical SMILES for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole is CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3cscn3)CC2)c2cn[nH]c2c1.O=C1NC(=O)C(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.

What is the InChIKey of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?

The InChIKey is MECCFSDEYHYPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2.C15H16ClN5O2.C15H15ClN4S/c1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12;16-9-5-11-10(7-17-20-11)12(6-9)21-3-1-8(2-4-21)13-14(22)19-15(23)18-13;16-11-5-13-12(7-18-19-13)15(6-11)20-3-1-10(2-4-20)14-8-21-9-17-14/h6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24);5-8,13H,1-4H2,(H,17,20)(H2,18,19,22,23);5-10H,1-4H2,(H,18,19).

What are the key properties of 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole?

5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 1000.42 g/mol, XLogP of 7.68, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 159540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).