4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C73H93Cl5N18O6S — CID 158776658

About 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 158776658) has the molecular formula C73H93Cl5N18O6S and a molecular weight of 1528.00 g/mol. Its IUPAC name is 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• PubChem CID: 158776658
• Molecular Formula: C73H93Cl5N18O6S
• Molecular Weight: 1528.00 g/mol
• Exact Mass: 1524.57
• IUPAC Name: 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(Cl)cc3c2cnn3C)CC1(C)C.CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@H]1C.CCCCOc1cc(Cl)cc2c1cnn2C.Cn1ncc2c(N3CCN(S(C)(=O)=O)C(C)(C)C3)cc(Cl)cc21.O=C(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C16H21ClN4O.C15H21ClN4O2S.C15H17ClN4O.C15H19ClN4O.C12H15ClN2O/c1-11(22)21-6-5-20(10-16(21,2)3)15-8-12(17)7-14-13(15)9-18-19(14)4;1-15(2)10-19(5-6-20(15)23(4,21)22)14-8-11(16)7-13-12(14)9-17-18(13)3;16-11-7-13-12(9-17-18-13)14(8-11)19-3-5-20(6-4-19)15(21)10-1-2-10;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-3-4-5-16-12-7-9(13)6-11-10(12)8-14-15(11)2/h7-9H,5-6,10H2,1-4H3;7-9H,5-6,10H2,1-4H3;7-10H,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8H,3-5H2,1-2H3/t;;;9-,10-;/m...1./s1
• InChIKey: IQNZWZGKXSREKN-JKVRNEOOSA-N
• XLogP: 13.10
• TPSA: 231.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1528.00
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The IUPAC name of 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 158776658) is 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

What is the SMILES notation for 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The canonical SMILES for 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Cl)cc3c2cnn3C)CC1(C)C.CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@H]1C.CCCCOc1cc(Cl)cc2c1cnn2C.Cn1ncc2c(N3CCN(S(C)(=O)=O)C(C)(C)C3)cc(Cl)cc21.O=C(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The InChIKey is IQNZWZGKXSREKN-JKVRNEOOSA-N. The full InChI is InChI=1S/C16H21ClN4O.C15H21ClN4O2S.C15H17ClN4O.C15H19ClN4O.C12H15ClN2O/c1-11(22)21-6-5-20(10-16(21,2)3)15-8-12(17)7-14-13(15)9-18-19(14)4;1-15(2)10-19(5-6-20(15)23(4,21)22)14-8-11(16)7-13-12(14)9-17-18(13)3;16-11-7-13-12(9-17-18-13)14(8-11)19-3-5-20(6-4-19)15(21)10-1-2-10;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-3-4-5-16-12-7-9(13)6-11-10(12)8-14-15(11)2/h7-9H,5-6,10H2,1-4H3;7-9H,5-6,10H2,1-4H3;7-10H,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8H,3-5H2,1-2H3/t;;;9-,10-;/m...1./s1.

What are the key properties of 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1528.00 g/mol, XLogP of 13.10, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 158776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).