bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

C63H83Cl2F2N15O8S4 — CID 160666719

IUPACbis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(C(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21
InChIInChI=1S/C17H24N4O2S.2C16H21ClN4O2S.C14H17F2N3O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17;2*1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-22(20,21)19-4-2-9(3-5-19)11-6-10(14(15)16)7-13-12(11)8-17-18-13/h10-13H,2-9H2,1H3,(H,18,19);2*8-10,14-15H,2-7H2,1H3,(H,18,19);6-9,14H,2-5H2,1H3,(H,17,18)
InChIKeyRMJZDDKGHGKLEA-UHFFFAOYSA-N
MW1415.62 g/mol
LogP10.16
Rot. Bonds10

About bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 160666719) has the molecular formula C63H83Cl2F2N15O8S4 and a molecular weight of 1415.62 g/mol. Its IUPAC name is bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

Compound Namebis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
PubChem CID160666719
Molecular FormulaC63H83Cl2F2N15O8S4
Molecular Weight1415.62 g/mol
Exact Mass1413.48
IUPAC Namebis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
SMILESCS(=O)(=O)N1CCC(c2cc(C(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21
InChIInChI=1S/C17H24N4O2S.2C16H21ClN4O2S.C14H17F2N3O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17;2*1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-22(20,21)19-4-2-9(3-5-19)11-6-10(14(15)16)7-13-12(11)8-17-18-13/h10-13H,2-9H2,1H3,(H,18,19);2*8-10,14-15H,2-7H2,1H3,(H,18,19);6-9,14H,2-5H2,1H3,(H,17,18)
InChIKeyRMJZDDKGHGKLEA-UHFFFAOYSA-N
XLogP10.16
TPSA273.96 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.62
LogP ≤ 510.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole with MolForge

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Related Compounds

5-chloro-7-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-fluoro-1H-indazole;[3-(5-chloro-1H-indazol-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-methyl-methylidene-oxo-lambda6-sulfane;7-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-5-methyl-1H-indazole;7-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-5-(trifluoromethyl)-1H-indazole;methyl-methylidene-[3-(5-methyl-1H-indazol-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-oxo-lambda6-sulfane
CID 157597001
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157897359
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158050837
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158105692
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158138202
8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 158356919
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158400129
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158842859
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 159044041
6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-(4-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 159195006
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 159390344
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 159480763

Frequently Asked Questions

What is the IUPAC name of bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The IUPAC name of bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (CID 160666719) is bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.
What is the SMILES notation for bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The canonical SMILES for bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is CS(=O)(=O)N1CCC(c2cc(C(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.
What is the InChIKey of bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
The InChIKey is RMJZDDKGHGKLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.2C16H21ClN4O2S.C14H17F2N3O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17;2*1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-22(20,21)19-4-2-9(3-5-19)11-6-10(14(15)16)7-13-12(11)8-17-18-13/h10-13H,2-9H2,1H3,(H,18,19);2*8-10,14-15H,2-7H2,1H3,(H,18,19);6-9,14H,2-5H2,1H3,(H,17,18).
What are the key properties of bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?
bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole has a molecular weight of 1415.62 g/mol, XLogP of 10.16, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 160666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).