3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile

C78H91Cl4N21O9S2 — CID 159694348

About 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile

3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile (PubChem CID 159694348) has the molecular formula C78H91Cl4N21O9S2 and a molecular weight of 1672.67 g/mol. Its IUPAC name is 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile.

Molecular Properties

• Compound Name: 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
• PubChem CID: 159694348
• Molecular Formula: C78H91Cl4N21O9S2
• Molecular Weight: 1672.67 g/mol
• Exact Mass: 1669.55
• IUPAC Name: 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
• SMILES: CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C#N)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1=O.CS(=O)(=O)N1CCC(C(O)c2cc(Cl)cc3[nH]ncc23)CC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C21H20ClN5O2.C16H21ClN4O.C15H19N5O2S.C14H18ClN3O3S.C12H13ClN4O/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;1-10(22)19-15-4-5-21(9-16(15,2)3)14-7-11(17)6-13-12(14)8-18-20-13;1-15(2)10-19(4-5-20(15)23(3,21)22)14-7-11(8-16)6-13-12(14)9-17-18-13;1-22(20,21)18-4-2-9(3-5-18)14(19)11-6-10(15)7-13-12(11)8-16-17-13;1-16-2-3-17(7-12(16)18)11-5-8(13)4-10-9(11)6-14-15-10/h1-5,10-12H,6-9,13H2,(H,23,25)(H,24,29);6-8,15H,4-5,9H2,1-3H3,(H,18,20)(H,19,22);6-7,9H,4-5,10H2,1-3H3,(H,17,18);6-9,14,19H,2-5H2,1H3,(H,16,17);4-6H,2-3,7H2,1H3,(H,14,15)
• InChIKey: MWUYQRGNEJDDGH-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 373.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1672.67
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?

The IUPAC name of 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile (CID 159694348) is 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile.

What is the SMILES notation for 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?

The canonical SMILES for 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile is CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C#N)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1=O.CS(=O)(=O)N1CCC(C(O)c2cc(Cl)cc3[nH]ncc23)CC1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ccccc1.

What is the InChIKey of 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?

The InChIKey is MWUYQRGNEJDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2.C16H21ClN4O.C15H19N5O2S.C14H18ClN3O3S.C12H13ClN4O/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;1-10(22)19-15-4-5-21(9-16(15,2)3)14-7-11(17)6-13-12(14)8-18-20-13;1-15(2)10-19(4-5-20(15)23(3,21)22)14-7-11(8-16)6-13-12(14)9-17-18-13;1-22(20,21)18-4-2-9(3-5-18)14(19)11-6-10(15)7-13-12(11)8-16-17-13;1-16-2-3-17(7-12(16)18)11-5-8(13)4-10-9(11)6-14-15-10/h1-5,10-12H,6-9,13H2,(H,23,25)(H,24,29);6-8,15H,4-5,9H2,1-3H3,(H,18,20)(H,19,22);6-7,9H,4-5,10H2,1-3H3,(H,17,18);6-9,14,19H,2-5H2,1H3,(H,16,17);4-6H,2-3,7H2,1H3,(H,14,15).

What are the key properties of 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile?

3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile has a molecular weight of 1672.67 g/mol, XLogP of 10.98, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]acetamide;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 159694348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).