N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

C76H99Cl5N20O9S2 — CID 161059624

About N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (PubChem CID 161059624) has the molecular formula C76H99Cl5N20O9S2 and a molecular weight of 1678.16 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

Molecular Properties

• Compound Name: N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
• PubChem CID: 161059624
• Molecular Formula: C76H99Cl5N20O9S2
• Molecular Weight: 1678.16 g/mol
• Exact Mass: 1674.58
• IUPAC Name: N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
• SMILES: CC(=O)NCCN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1CCNS(C)(=O)=O.CS(=O)(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
• InChI: InChI=1S/C17H21ClN6O4S.C17H24ClN5O.C16H24ClN5O2S.2C13H15ClN2O/c1-29(27,28)20-4-7-24-15(25)17(21-16(24)26)2-5-23(6-3-17)14-9-11(18)8-13-12(14)10-19-22-13;1-12(24)19-4-5-23-7-6-22(11-17(23,2)3)16-9-13(18)8-15-14(16)10-20-21-15;1-16(2)11-21(6-7-22(16)5-4-19-25(3,23)24)15-9-12(17)8-14-13(15)10-18-20-14;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h8-10,20H,2-7H2,1H3,(H,19,22)(H,21,26);8-10H,4-7,11H2,1-3H3,(H,19,24)(H,20,21);8-10,19H,4-7,11H2,1-3H3,(H,18,20);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;;9-,13+;9-,13-/m...11/s1
• InChIKey: UDFNPXBPLQYJEE-OVNPSNJTSA-N
• XLogP: 11.05
• TPSA: 370.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.16
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	11
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 N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?

The IUPAC name of N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (CID 161059624) is N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

What is the SMILES notation for N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?

The canonical SMILES for N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is CC(=O)NCCN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1CCNS(C)(=O)=O.CS(=O)(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.

What is the InChIKey of N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?

The InChIKey is UDFNPXBPLQYJEE-OVNPSNJTSA-N. The full InChI is InChI=1S/C17H21ClN6O4S.C17H24ClN5O.C16H24ClN5O2S.2C13H15ClN2O/c1-29(27,28)20-4-7-24-15(25)17(21-16(24)26)2-5-23(6-3-17)14-9-11(18)8-13-12(14)10-19-22-13;1-12(24)19-4-5-23-7-6-22(11-17(23,2)3)16-9-13(18)8-15-14(16)10-20-21-15;1-16(2)11-21(6-7-22(16)5-4-19-25(3,23)24)15-9-12(17)8-14-13(15)10-18-20-14;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h8-10,20H,2-7H2,1H3,(H,19,22)(H,21,26);8-10H,4-7,11H2,1-3H3,(H,19,24)(H,20,21);8-10,19H,4-7,11H2,1-3H3,(H,18,20);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;;9-,13+;9-,13-/m...11/s1.

What are the key properties of N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?

N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol has a molecular weight of 1678.16 g/mol, XLogP of 11.05, 16 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 161059624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).