1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone

C70H92Cl2N20O9S2 — CID 159220654

About 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone

1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 159220654) has the molecular formula C70H92Cl2N20O9S2 and a molecular weight of 1492.68 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
• PubChem CID: 159220654
• Molecular Formula: C70H92Cl2N20O9S2
• Molecular Weight: 1492.68 g/mol
• Exact Mass: 1490.62
• IUPAC Name: 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ncc23)CC1.COc1cc(N2CCN(C(C)=O)CC2)c2cn[nH]c2c1.COc1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CS(=O)(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C16H22N4O.C14H17ClN4O.C14H18N4O2.C13H17ClN4O2S.C13H18N4O3S/c1-11(2)13-8-15-14(10-17-18-15)16(9-13)20-6-4-19(5-7-20)12(3)21;1-10(20)18-3-2-4-19(6-5-18)14-8-11(15)7-13-12(14)9-16-17-13;1-10(19)17-3-5-18(6-4-17)14-8-11(20-2)7-13-12(14)9-15-16-13;1-21(19,20)18-4-2-3-17(5-6-18)13-8-10(14)7-12-11(13)9-15-16-12;1-20-10-7-12-11(9-14-15-12)13(8-10)16-3-5-17(6-4-16)21(2,18)19/h8-11H,4-7H2,1-3H3,(H,17,18);7-9H,2-6H2,1H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15)
• InChIKey: KRQFYEAYVJYRMK-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 313.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.68
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone (CID 159220654) is 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C(C)C)cc3[nH]ncc23)CC1.COc1cc(N2CCN(C(C)=O)CC2)c2cn[nH]c2c1.COc1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CS(=O)(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

The InChIKey is KRQFYEAYVJYRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.C14H17ClN4O.C14H18N4O2.C13H17ClN4O2S.C13H18N4O3S/c1-11(2)13-8-15-14(10-17-18-15)16(9-13)20-6-4-19(5-7-20)12(3)21;1-10(20)18-3-2-4-19(6-5-18)14-8-11(15)7-13-12(14)9-16-17-13;1-10(19)17-3-5-18(6-4-17)14-8-11(20-2)7-13-12(14)9-15-16-13;1-21(19,20)18-4-2-3-17(5-6-18)13-8-10(14)7-12-11(13)9-15-16-12;1-20-10-7-12-11(9-14-15-12)13(8-10)16-3-5-17(6-4-16)21(2,18)19/h8-11H,4-7H2,1-3H3,(H,17,18);7-9H,2-6H2,1H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15).

What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone?

1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1492.68 g/mol, XLogP of 8.21, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159220654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).