1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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

C67H87Cl3N20O10S3 — CID 161356122

About 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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 (PubChem CID 161356122) has the molecular formula C67H87Cl3N20O10S3 and a molecular weight of 1535.12 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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
• PubChem CID: 161356122
• Molecular Formula: C67H87Cl3N20O10S3
• Molecular Weight: 1535.12 g/mol
• Exact Mass: 1532.51
• IUPAC Name: 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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
• SMILES: CC(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC1CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.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/C14H17ClN4O.C14H18N4O2.2C13H17ClN4O2S.C13H18N4O3S/c1-10(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;1-9-8-17(3-4-18(9)21(2,19)20)13-6-10(14)5-12-11(13)7-15-16-12;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/h7-9H,2-6H2,1H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);7-9H,2-6H2,1H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15)
• InChIKey: VOOKUOGZCHDOHK-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 330.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.12
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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?

The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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 (CID 161356122) is 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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.

What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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?

The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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 is CC(=O)N1CCCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC1CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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?

The InChIKey is VOOKUOGZCHDOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.C14H18N4O2.2C13H17ClN4O2S.C13H18N4O3S/c1-10(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;1-9-8-17(3-4-18(9)21(2,19)20)13-6-10(14)5-12-11(13)7-15-16-12;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/h7-9H,2-6H2,1H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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 has a molecular weight of 1535.12 g/mol, XLogP of 7.54, 10 rotatable bonds, 5 hydrogen bond donors, and 20 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-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;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 is sourced from PubChem (CID 161356122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).