(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole

C82H98Cl5N23O9S — CID 158781139

About (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole

(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole (PubChem CID 158781139) has the molecular formula C82H98Cl5N23O9S and a molecular weight of 1759.17 g/mol. Its IUPAC name is (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole.

Molecular Properties

• Compound Name: (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole
• PubChem CID: 158781139
• Molecular Formula: C82H98Cl5N23O9S
• Molecular Weight: 1759.17 g/mol
• Exact Mass: 1755.61
• IUPAC Name: (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole
• SMILES: CN(C)CCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CS(=O)(=O)N1CC2(CN(c3cc(Cl)cc4[nH]ncc34)C2)C1.O=C1CCC2(CCN1)CCN(c1cc(Cl)cc3[nH]ncc13)CC2.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCOCC1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Cl)cc3[nH]ncc13)C2
• InChI: InChI=1S/C20H24ClN5O3.C18H23ClN6O2.C17H21ClN4O.C14H15ClN4O.C13H15ClN4O2S/c21-14-9-16-15(11-22-24-16)17(10-14)25-5-3-20(4-6-25)18(27)26(19(28)23-20)12-13-1-7-29-8-2-13;1-23(2)7-8-25-16(26)18(21-17(25)27)3-5-24(6-4-18)15-10-12(19)9-14-13(15)11-20-22-14;18-12-9-14-13(11-20-21-14)15(10-12)22-7-4-17(5-8-22)2-1-16(23)19-6-3-17;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20;1-21(19,20)18-7-13(8-18)5-17(6-13)12-3-9(14)2-11-10(12)4-15-16-11/h9-11,13H,1-8,12H2,(H,22,24)(H,23,28);9-11H,3-8H2,1-2H3,(H,20,22)(H,21,27);9-11H,1-8H2,(H,19,23)(H,20,21);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20);2-4H,5-8H2,1H3,(H,15,16)/t;;;8-,10+;/m...1./s1
• InChIKey: IRCBNPNGKBTZAZ-KZQWTRACSA-N
• XLogP: 10.53
• TPSA: 366.47 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.17
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole?

The IUPAC name of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole (CID 158781139) is (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole.

What is the SMILES notation for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole?

The canonical SMILES for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole is CN(C)CCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CS(=O)(=O)N1CC2(CN(c3cc(Cl)cc4[nH]ncc34)C2)C1.O=C1CCC2(CCN1)CCN(c1cc(Cl)cc3[nH]ncc13)CC2.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC1CCOCC1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Cl)cc3[nH]ncc13)C2.

What is the InChIKey of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole?

The InChIKey is IRCBNPNGKBTZAZ-KZQWTRACSA-N. The full InChI is InChI=1S/C20H24ClN5O3.C18H23ClN6O2.C17H21ClN4O.C14H15ClN4O.C13H15ClN4O2S/c21-14-9-16-15(11-22-24-16)17(10-14)25-5-3-20(4-6-25)18(27)26(19(28)23-20)12-13-1-7-29-8-2-13;1-23(2)7-8-25-16(26)18(21-17(25)27)3-5-24(6-4-18)15-10-12(19)9-14-13(15)11-20-22-14;18-12-9-14-13(11-20-21-14)15(10-12)22-7-4-17(5-8-22)2-1-16(23)19-6-3-17;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20;1-21(19,20)18-7-13(8-18)5-17(6-13)12-3-9(14)2-11-10(12)4-15-16-11/h9-11,13H,1-8,12H2,(H,22,24)(H,23,28);9-11H,3-8H2,1-2H3,(H,20,22)(H,21,27);9-11H,1-8H2,(H,19,23)(H,20,21);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20);2-4H,5-8H2,1H3,(H,15,16)/t;;;8-,10+;/m...1./s1.

What are the key properties of (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole?

(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole has a molecular weight of 1759.17 g/mol, XLogP of 10.53, 11 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one;8-(6-chloro-1H-indazol-4-yl)-3-[2-(dimethylamino)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-1H-indazole is sourced from PubChem (CID 158781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).