4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone

C66H82Cl3N13O7S3 — CID 158057083

IUPAC4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C18H18ClN3O2S.C18H24N4O.2C15H20ClN3O2S/c19-14-10-16(17-12-20-21-18(17)11-14)13-6-8-22(9-7-13)25(23,24)15-4-2-1-3-5-15;1-13(23)21-6-8-22(9-7-21)18-11-15(14-4-2-3-5-14)10-17-16(18)12-19-20-17;1-10(2)22(20,21)19-5-3-11(4-6-19)13-7-12(16)8-15-14(13)9-17-18-15;1-2-7-22(20,21)19-5-3-11(4-6-19)13-8-12(16)9-15-14(13)10-17-18-15/h1-5,10-13H,6-9H2,(H,20,21);10-12,14H,2-9H2,1H3,(H,19,20);7-11H,3-6H2,1-2H3,(H,17,18);8-11H,2-7H2,1H3,(H,17,18)
InChIKeyFKENKHKMWUJWCI-UHFFFAOYSA-N
MW1372.03 g/mol
LogP12.94
Rot. Bonds12

About 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone

4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 158057083) has the molecular formula C66H82Cl3N13O7S3 and a molecular weight of 1372.03 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
PubChem CID158057083
Molecular FormulaC66H82Cl3N13O7S3
Molecular Weight1372.03 g/mol
Exact Mass1369.47
IUPAC Name4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C18H18ClN3O2S.C18H24N4O.2C15H20ClN3O2S/c19-14-10-16(17-12-20-21-18(17)11-14)13-6-8-22(9-7-13)25(23,24)15-4-2-1-3-5-15;1-13(23)21-6-8-22(9-7-21)18-11-15(14-4-2-3-5-14)10-17-16(18)12-19-20-17;1-10(2)22(20,21)19-5-3-11(4-6-19)13-7-12(16)8-15-14(13)9-17-18-15;1-2-7-22(20,21)19-5-3-11(4-6-19)13-8-12(16)9-15-14(13)10-17-18-15/h1-5,10-13H,6-9H2,(H,20,21);10-12,14H,2-9H2,1H3,(H,19,20);7-11H,3-6H2,1-2H3,(H,17,18);8-11H,2-7H2,1H3,(H,17,18)
InChIKeyFKENKHKMWUJWCI-UHFFFAOYSA-N
XLogP12.94
TPSA250.41 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.03
LogP ≤ 512.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;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 157600466
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
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-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
CID 158852647
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 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone (CID 158057083) is 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1.CC(C)S(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CCCS(=O)(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is FKENKHKMWUJWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S.C18H24N4O.2C15H20ClN3O2S/c19-14-10-16(17-12-20-21-18(17)11-14)13-6-8-22(9-7-13)25(23,24)15-4-2-1-3-5-15;1-13(23)21-6-8-22(9-7-21)18-11-15(14-4-2-3-5-14)10-17-16(18)12-19-20-17;1-10(2)22(20,21)19-5-3-11(4-6-19)13-7-12(16)8-15-14(13)9-17-18-15;1-2-7-22(20,21)19-5-3-11(4-6-19)13-8-12(16)9-15-14(13)10-17-18-15/h1-5,10-13H,6-9H2,(H,20,21);10-12,14H,2-9H2,1H3,(H,19,20);7-11H,3-6H2,1-2H3,(H,17,18);8-11H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone?
4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 1372.03 g/mol, XLogP of 12.94, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)piperidin-4-yl]-6-chloro-1H-indazole;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;6-chloro-4-(1-propylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 158057083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).