3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide

C77H91Cl5N16O5S — CID 159023612

IUPAC3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.NC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.NC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C17H20ClN3O2.C16H19ClN4O.C15H14ClN3O2S.C15H20ClN3.C14H18ClN3/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;16-11-7-12(13-9-18-19-15(13)8-11)14(17)6-10-4-2-1-3-5-10;15-10-6-11(12-8-17-18-13(12)7-10)14(16)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);6-7,9H,2-5,8,10H2,1H3,(H,18,19);2-7,9,18H,8H2,1H3,(H,17,19);7-10,14H,1-6,17H2,(H,18,19);6-9,14H,1-5,16H2,(H,17,18)
InChIKeyJTZYYEMNBKVFHU-UHFFFAOYSA-N
MW1530.01 g/mol
LogP17.02
Rot. Bonds14

About 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide

3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide (PubChem CID 159023612) has the molecular formula C77H91Cl5N16O5S and a molecular weight of 1530.01 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide
PubChem CID159023612
Molecular FormulaC77H91Cl5N16O5S
Molecular Weight1530.01 g/mol
Exact Mass1526.55
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.NC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.NC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C17H20ClN3O2.C16H19ClN4O.C15H14ClN3O2S.C15H20ClN3.C14H18ClN3/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;16-11-7-12(13-9-18-19-15(13)8-11)14(17)6-10-4-2-1-3-5-10;15-10-6-11(12-8-17-18-13(12)7-10)14(16)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);6-7,9H,2-5,8,10H2,1H3,(H,18,19);2-7,9,18H,8H2,1H3,(H,17,19);7-10,14H,1-6,17H2,(H,18,19);6-9,14H,1-5,16H2,(H,17,18)
InChIKeyJTZYYEMNBKVFHU-UHFFFAOYSA-N
XLogP17.02
TPSA302.54 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001530.01
LogP ≤ 517.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

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-cyclohexyl-1H-indazole;1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;1-[9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-4-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-1H-indazole
CID 157240168
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole
CID 157416682
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperidin-1-yl]ethanone
CID 157479607
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
CID 157695567
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;N-[2-[4-(6-chloro-1H-indazol-4-yl)pyrazol-1-yl]ethyl]methanesulfonamide;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-pyridin-3-ylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-pyridin-4-ylpiperazin-1-yl)-1H-indazole
CID 157748492
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(oxetan-3-yl)methanone;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole
CID 158000251
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
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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone
CID 158059078
1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 158098099
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;1-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]propan-2-one;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
CID 158260488
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
CID 158357743

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide (CID 159023612) is 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide is CC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.NC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.NC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is JTZYYEMNBKVFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.C16H19ClN4O.C15H14ClN3O2S.C15H20ClN3.C14H18ClN3/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;16-11-7-12(13-9-18-19-15(13)8-11)14(17)6-10-4-2-1-3-5-10;15-10-6-11(12-8-17-18-13(12)7-10)14(16)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);6-7,9H,2-5,8,10H2,1H3,(H,18,19);2-7,9,18H,8H2,1H3,(H,17,19);7-10,14H,1-6,17H2,(H,18,19);6-9,14H,1-5,16H2,(H,17,18).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide?
3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 1530.01 g/mol, XLogP of 17.02, 14 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanamine;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanamine;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 159023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).