6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone

C55H71Cl4N15O8S3 — CID 160541953

IUPAC6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCC1(C)CC(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20ClN3O2S.C15H18ClN3O2.C13H18ClN5O2S.C12H15ClN4O2S/c1-15(2)8-10(4-5-19(15)22(3,20)21)12-6-11(16)7-14-13(12)9-17-18-14;1-21-9-15(20)19-4-2-10(3-5-19)12-6-11(16)7-14-13(12)8-17-18-14;1-17(2)22(20,21)19-5-3-18(4-6-19)13-8-10(14)7-12-11(13)9-15-16-12;13-9-5-10(11-7-15-16-12(11)6-9)8-1-3-17(4-2-8)20(14,18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18);6-8,10H,2-5,9H2,1H3,(H,17,18);7-9H,3-6H2,1-2H3,(H,15,16);5-8H,1-4H2,(H,15,16)(H2,14,18,19)
InChIKeyQWXAQOQHVFRDNW-UHFFFAOYSA-N
MW1308.28 g/mol
LogP8.45
Rot. Bonds10

About 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone

6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 160541953) has the molecular formula C55H71Cl4N15O8S3 and a molecular weight of 1308.28 g/mol. Its IUPAC name is 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID160541953
Molecular FormulaC55H71Cl4N15O8S3
Molecular Weight1308.28 g/mol
Exact Mass1305.35
IUPAC Name6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCC1(C)CC(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C15H20ClN3O2S.C15H18ClN3O2.C13H18ClN5O2S.C12H15ClN4O2S/c1-15(2)8-10(4-5-19(15)22(3,20)21)12-6-11(16)7-14-13(12)9-17-18-14;1-21-9-15(20)19-4-2-10(3-5-19)12-6-11(16)7-14-13(12)8-17-18-14;1-17(2)22(20,21)19-5-3-18(4-6-19)13-8-10(14)7-12-11(13)9-15-16-12;13-9-5-10(11-7-15-16-12(11)6-9)8-1-3-17(4-2-8)20(14,18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18);6-8,10H,2-5,9H2,1H3,(H,17,18);7-9H,3-6H2,1-2H3,(H,15,16);5-8H,1-4H2,(H,15,16)(H2,14,18,19)
InChIKeyQWXAQOQHVFRDNW-UHFFFAOYSA-N
XLogP8.45
TPSA288.90 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.28
LogP ≤ 58.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

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
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-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;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158943468
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
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
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;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 160274559
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160296578
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-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 160327583
6-chloro-4-(4-pyrazol-1-ylpiperidin-1-yl)-1H-indazole;N-methyl-N-[4-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-6-yl]acetamide;N-methyl-N-[4-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-6-yl]methanesulfonamide;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 161606295
1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole
CID 161995934

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone (CID 160541953) is 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone is CC1(C)CC(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CN(C)S(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is QWXAQOQHVFRDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S.C15H18ClN3O2.C13H18ClN5O2S.C12H15ClN4O2S/c1-15(2)8-10(4-5-19(15)22(3,20)21)12-6-11(16)7-14-13(12)9-17-18-14;1-21-9-15(20)19-4-2-10(3-5-19)12-6-11(16)7-14-13(12)8-17-18-14;1-17(2)22(20,21)19-5-3-18(4-6-19)13-8-10(14)7-12-11(13)9-15-16-12;13-9-5-10(11-7-15-16-12(11)6-9)8-1-3-17(4-2-8)20(14,18)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18);6-8,10H,2-5,9H2,1H3,(H,17,18);7-9H,3-6H2,1-2H3,(H,15,16);5-8H,1-4H2,(H,15,16)(H2,14,18,19).
What are the key properties of 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone?
6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 1308.28 g/mol, XLogP of 8.45, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 160541953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).