(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole

C62H77BrCl3N17O6S — CID 162165753

About (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole (PubChem CID 162165753) has the molecular formula C62H77BrCl3N17O6S and a molecular weight of 1374.74 g/mol. Its IUPAC name is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole.

Molecular Properties

• Compound Name: (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole
• PubChem CID: 162165753
• Molecular Formula: C62H77BrCl3N17O6S
• Molecular Weight: 1374.74 g/mol
• Exact Mass: 1371.42
• IUPAC Name: (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole
• SMILES: CC(=O)N1CCC2(CC1)CN(c1cc(Cl)cc3[nH]ncc13)C2.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1CO.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.CS(=O)(=O)N1CCN(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1
• InChI: InChI=1S/C17H24ClN5O2S.C16H19ClN4O.C15H17BrN4O.C14H17ClN4O2/c1-26(24,25)23-8-6-21(7-9-23)14-2-4-22(5-3-14)17-11-13(18)10-16-15(17)12-19-20-16;1-11(22)20-4-2-16(3-5-20)9-21(10-16)15-7-12(17)6-14-13(15)8-18-19-14;1-19-11-3-2-9(15(19)21)7-20(8-11)14-5-10(16)4-13-12(14)6-17-18-13;1-9(21)19-3-2-18(7-11(19)8-20)14-5-10(15)4-13-12(14)6-16-17-13/h10-12,14H,2-9H2,1H3,(H,19,20);6-8H,2-5,9-10H2,1H3,(H,18,19);4-6,9,11H,2-3,7-8H2,1H3,(H,17,18);4-6,11,20H,2-3,7-8H2,1H3,(H,16,17)/t;;9-,11+;/m..1./s1
• InChIKey: ZNCHOWSMYAUVKN-IQIIDADQSA-N
• XLogP: 8.06
• TPSA: 249.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.74
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole?

The IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole (CID 162165753) is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole.

What is the SMILES notation for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole?

The canonical SMILES for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole is CC(=O)N1CCC2(CC1)CN(c1cc(Cl)cc3[nH]ncc13)C2.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1CO.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.CS(=O)(=O)N1CCN(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.

What is the InChIKey of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole?

The InChIKey is ZNCHOWSMYAUVKN-IQIIDADQSA-N. The full InChI is InChI=1S/C17H24ClN5O2S.C16H19ClN4O.C15H17BrN4O.C14H17ClN4O2/c1-26(24,25)23-8-6-21(7-9-23)14-2-4-22(5-3-14)17-11-13(18)10-16-15(17)12-19-20-16;1-11(22)20-4-2-16(3-5-20)9-21(10-16)15-7-12(17)6-14-13(15)8-18-19-14;1-19-11-3-2-9(15(19)21)7-20(8-11)14-5-10(16)4-13-12(14)6-17-18-13;1-9(21)19-3-2-18(7-11(19)8-20)14-5-10(15)4-13-12(14)6-16-17-13/h10-12,14H,2-9H2,1H3,(H,19,20);6-8H,2-5,9-10H2,1H3,(H,18,19);4-6,9,11H,2-3,7-8H2,1H3,(H,17,18);4-6,11,20H,2-3,7-8H2,1H3,(H,16,17)/t;;9-,11+;/m..1./s1.

What are the key properties of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole?

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole has a molecular weight of 1374.74 g/mol, XLogP of 8.06, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone;6-chloro-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1H-indazole is sourced from PubChem (CID 162165753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).