4-butoxy-6-chloro-1H-indazole;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

C72H91Cl5N18O6S — CID 161420435

About 4-butoxy-6-chloro-1H-indazole;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-1H-indazole;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 161420435) has the molecular formula C72H91Cl5N18O6S and a molecular weight of 1513.97 g/mol. Its IUPAC name is 4-butoxy-6-chloro-1H-indazole;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-1H-indazole;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: 161420435
• Molecular Formula: C72H91Cl5N18O6S
• Molecular Weight: 1513.97 g/mol
• Exact Mass: 1510.55
• IUPAC Name: 4-butoxy-6-chloro-1H-indazole;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)cc2[nH]ncc12.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.C11H13ClN2O/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;1-2-3-4-15-11-6-8(12)5-10-9(11)7-13-14-10/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);5-7H,2-4H2,1H3,(H,13,14)/t;;;9-,10-;/m...1./s1
• InChIKey: VWQSFUIHMQCJRJ-JKVRNEOOSA-N
• XLogP: 13.09
• TPSA: 242.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1513.97
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-1H-indazole;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-1H-indazole;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 161420435) is 4-butoxy-6-chloro-1H-indazole;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-1H-indazole;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-1H-indazole;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)cc2[nH]ncc12.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-1H-indazole;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 VWQSFUIHMQCJRJ-JKVRNEOOSA-N. The full InChI is InChI=1S/C16H21ClN4O.C15H21ClN4O2S.C15H17ClN4O.C15H19ClN4O.C11H13ClN2O/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;1-2-3-4-15-11-6-8(12)5-10-9(11)7-13-14-10/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);5-7H,2-4H2,1H3,(H,13,14)/t;;;9-,10-;/m...1./s1.

What are the key properties of 4-butoxy-6-chloro-1H-indazole;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-1H-indazole;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 1513.97 g/mol, XLogP of 13.09, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butoxy-6-chloro-1H-indazole;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 161420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).