4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole

C75H94Cl3N21O8S3 — CID 162119972

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole
SMILESCC(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C18H19ClN4O2S.C16H21ClN4O2S.C14H18ClN5O.C14H18N4O.C13H18N4O2S/c19-15-10-17-16(12-20-21-17)18(11-15)22-6-8-23(9-7-22)26(24,25)13-14-4-2-1-3-5-14;17-12-9-15-14(11-18-19-15)16(10-12)20-5-7-21(8-6-20)24(22,23)13-3-1-2-4-13;1-16-14(21)9-19-2-4-20(5-3-19)13-7-10(15)6-12-11(13)8-17-18-12;1-11(19)17-6-3-7-18(9-8-17)14-5-2-4-13-12(14)10-15-16-13;1-20(18,19)17-7-3-6-16(8-9-17)13-5-2-4-12-11(13)10-14-15-12/h1-5,10-12H,6-9,13H2,(H,20,21);9-11,13H,1-8H2,(H,18,19);6-8H,2-5,9H2,1H3,(H,16,21)(H,17,18);2,4-5,10H,3,6-9H2,1H3,(H,15,16);2,4-5,10H,3,6-9H2,1H3,(H,14,15)
InChIKeyZHGWJIXIXJTLHU-UHFFFAOYSA-N
MW1620.28 g/mol
LogP9.22
Rot. Bonds13

About 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole

4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole (PubChem CID 162119972) has the molecular formula C75H94Cl3N21O8S3 and a molecular weight of 1620.28 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole
PubChem CID162119972
Molecular FormulaC75H94Cl3N21O8S3
Molecular Weight1620.28 g/mol
Exact Mass1617.58
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole
SMILESCC(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C18H19ClN4O2S.C16H21ClN4O2S.C14H18ClN5O.C14H18N4O.C13H18N4O2S/c19-15-10-17-16(12-20-21-17)18(11-15)22-6-8-23(9-7-22)26(24,25)13-14-4-2-1-3-5-14;17-12-9-15-14(11-18-19-15)16(10-12)20-5-7-21(8-6-20)24(22,23)13-3-1-2-4-13;1-16-14(21)9-19-2-4-20(5-3-19)13-7-10(15)6-12-11(13)8-17-18-12;1-11(19)17-6-3-7-18(9-8-17)14-5-2-4-13-12(14)10-15-16-13;1-20(18,19)17-7-3-6-16(8-9-17)13-5-2-4-12-11(13)10-14-15-12/h1-5,10-12H,6-9,13H2,(H,20,21);9-11,13H,1-8H2,(H,18,19);6-8H,2-5,9H2,1H3,(H,16,21)(H,17,18);2,4-5,10H,3,6-9H2,1H3,(H,15,16);2,4-5,10H,3,6-9H2,1H3,(H,14,15)
InChIKeyZHGWJIXIXJTLHU-UHFFFAOYSA-N
XLogP9.22
TPSA324.39 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001620.28
LogP ≤ 59.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole with MolForge

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Related Compounds

4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 159975102
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159295379
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
[(3S)-1-benzylsulfonylpiperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 92641361
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
N-benzyl-1H-indazol-4-amine;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole
CID 162187072
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole (CID 162119972) is 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole is CC(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole?
The InChIKey is ZHGWJIXIXJTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S.C16H21ClN4O2S.C14H18ClN5O.C14H18N4O.C13H18N4O2S/c19-15-10-17-16(12-20-21-17)18(11-15)22-6-8-23(9-7-22)26(24,25)13-14-4-2-1-3-5-14;17-12-9-15-14(11-18-19-15)16(10-12)20-5-7-21(8-6-20)24(22,23)13-3-1-2-4-13;1-16-14(21)9-19-2-4-20(5-3-19)13-7-10(15)6-12-11(13)8-17-18-12;1-11(19)17-6-3-7-18(9-8-17)14-5-2-4-13-12(14)10-15-16-13;1-20(18,19)17-7-3-6-16(8-9-17)13-5-2-4-12-11(13)10-14-15-12/h1-5,10-12H,6-9,13H2,(H,20,21);9-11,13H,1-8H2,(H,18,19);6-8H,2-5,9H2,1H3,(H,16,21)(H,17,18);2,4-5,10H,3,6-9H2,1H3,(H,15,16);2,4-5,10H,3,6-9H2,1H3,(H,14,15).
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole?
4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole has a molecular weight of 1620.28 g/mol, XLogP of 9.22, 13 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)-6-chloro-1H-indazole;6-chloro-4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylacetamide;1-[4-(1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole is sourced from PubChem (CID 162119972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).