N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

C73H84Cl4F3N19O8S2 — CID 158710465

IUPACN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCc3cn[nH]c3C2)c2cn[nH]c2c1.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C17H21ClN6O4S.C17H21F3N4O2S.C13H12ClN5.2C13H15ClN2O/c1-29(27,28)20-4-7-24-15(25)17(21-16(24)26)2-5-23(6-3-17)14-9-11(18)8-13-12(14)10-19-22-13;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;14-9-3-11-10(6-16-17-11)13(4-9)19-2-1-8-5-15-18-12(8)7-19;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h8-10,20H,2-7H2,1H3,(H,19,22)(H,21,26);8-10,14-15H,2-7H2,1H3,(H,21,22);3-6H,1-2,7H2,(H,15,18)(H,16,17);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;;9-,13+;9-,13-/m...11/s1
InChIKeyIIQMOIBKWRKKEK-OVNPSNJTSA-N
MW1618.54 g/mol
LogP12.60
Rot. Bonds10

About N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (PubChem CID 158710465) has the molecular formula C73H84Cl4F3N19O8S2 and a molecular weight of 1618.54 g/mol. Its IUPAC name is N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound NameN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
PubChem CID158710465
Molecular FormulaC73H84Cl4F3N19O8S2
Molecular Weight1618.54 g/mol
Exact Mass1615.49
IUPAC NameN-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCc3cn[nH]c3C2)c2cn[nH]c2c1.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C17H21ClN6O4S.C17H21F3N4O2S.C13H12ClN5.2C13H15ClN2O/c1-29(27,28)20-4-7-24-15(25)17(21-16(24)26)2-5-23(6-3-17)14-9-11(18)8-13-12(14)10-19-22-13;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;14-9-3-11-10(6-16-17-11)13(4-9)19-2-1-8-5-15-18-12(8)7-19;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h8-10,20H,2-7H2,1H3,(H,19,22)(H,21,26);8-10,14-15H,2-7H2,1H3,(H,21,22);3-6H,1-2,7H2,(H,15,18)(H,16,17);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;;9-,13+;9-,13-/m...11/s1
InChIKeyIIQMOIBKWRKKEK-OVNPSNJTSA-N
XLogP12.60
TPSA355.22 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms109
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001618.54
LogP ≤ 512.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The IUPAC name of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (CID 158710465) is N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCc3cn[nH]c3C2)c2cn[nH]c2c1.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The InChIKey is IIQMOIBKWRKKEK-OVNPSNJTSA-N. The full InChI is InChI=1S/C17H21ClN6O4S.C17H21F3N4O2S.C13H12ClN5.2C13H15ClN2O/c1-29(27,28)20-4-7-24-15(25)17(21-16(24)26)2-5-23(6-3-17)14-9-11(18)8-13-12(14)10-19-22-13;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;14-9-3-11-10(6-16-17-11)13(4-9)19-2-1-8-5-15-18-12(8)7-19;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h8-10,20H,2-7H2,1H3,(H,19,22)(H,21,26);8-10,14-15H,2-7H2,1H3,(H,21,22);3-6H,1-2,7H2,(H,15,18)(H,16,17);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;;9-,13+;9-,13-/m...11/s1.
What are the key properties of N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol has a molecular weight of 1618.54 g/mol, XLogP of 12.60, 10 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 158710465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).