6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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

C73H91Cl2F6N17O9S4 — CID 161470455

IUPAC6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H](C)N1S(C)(=O)=O
InChIInChI=1S/C15H20ClN3O2S.C15H16F3N3O.C15H20N4O2S.C14H19ClN4O2S.C14H16F3N3O2S/c1-22(20,21)7-4-11-2-5-19(6-3-11)15-9-12(16)8-14-13(15)10-17-18-14;1-9(22)21-4-2-10(3-5-21)12-6-11(15(16,17)18)7-14-13(12)8-19-20-14;1-22(20,21)19-6-4-18(5-7-19)15-9-12(11-2-3-11)8-14-13(15)10-16-17-14;1-9-7-18(8-10(2)19(9)22(3,20)21)14-5-11(15)4-13-12(14)6-16-17-13;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13/h8-11H,2-7H2,1H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,19,20);8-11H,2-7H2,1H3,(H,16,17);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-9H,2-5H2,1H3,(H,18,19)/t;;;9-,10-;/m...1./s1
InChIKeyWCZXPOREFZCOTF-JKVRNEOOSA-N
MW1663.80 g/mol
LogP12.49
Rot. Bonds12

About 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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

6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 (PubChem CID 161470455) has the molecular formula C73H91Cl2F6N17O9S4 and a molecular weight of 1663.80 g/mol. Its IUPAC name is 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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.

Molecular Properties

Compound Name6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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
PubChem CID161470455
Molecular FormulaC73H91Cl2F6N17O9S4
Molecular Weight1663.80 g/mol
Exact Mass1661.53
IUPAC Name6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H](C)N1S(C)(=O)=O
InChIInChI=1S/C15H20ClN3O2S.C15H16F3N3O.C15H20N4O2S.C14H19ClN4O2S.C14H16F3N3O2S/c1-22(20,21)7-4-11-2-5-19(6-3-11)15-9-12(16)8-14-13(15)10-17-18-14;1-9(22)21-4-2-10(3-5-21)12-6-11(15(16,17)18)7-14-13(12)8-19-20-14;1-22(20,21)19-6-4-18(5-7-19)15-9-12(11-2-3-11)8-14-13(15)10-16-17-14;1-9-7-18(8-10(2)19(9)22(3,20)21)14-5-11(15)4-13-12(14)6-16-17-13;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13/h8-11H,2-7H2,1H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,19,20);8-11H,2-7H2,1H3,(H,16,17);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-9H,2-5H2,1H3,(H,18,19)/t;;;9-,10-;/m...1./s1
InChIKeyWCZXPOREFZCOTF-JKVRNEOOSA-N
XLogP12.49
TPSA319.71 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001663.80
LogP ≤ 512.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 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
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 158085037
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
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,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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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?
The IUPAC name of 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 161470455) is 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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.
What is the SMILES notation for 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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?
The canonical SMILES for 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 is CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1.C[C@@H]1CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H](C)N1S(C)(=O)=O.
What is the InChIKey of 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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?
The InChIKey is WCZXPOREFZCOTF-JKVRNEOOSA-N. The full InChI is InChI=1S/C15H20ClN3O2S.C15H16F3N3O.C15H20N4O2S.C14H19ClN4O2S.C14H16F3N3O2S/c1-22(20,21)7-4-11-2-5-19(6-3-11)15-9-12(16)8-14-13(15)10-17-18-14;1-9(22)21-4-2-10(3-5-21)12-6-11(15(16,17)18)7-14-13(12)8-19-20-14;1-22(20,21)19-6-4-18(5-7-19)15-9-12(11-2-3-11)8-14-13(15)10-16-17-14;1-9-7-18(8-10(2)19(9)22(3,20)21)14-5-11(15)4-13-12(14)6-16-17-13;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13/h8-11H,2-7H2,1H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,19,20);8-11H,2-7H2,1H3,(H,16,17);4-6,9-10H,7-8H2,1-3H3,(H,16,17);6-9H,2-5H2,1H3,(H,18,19)/t;;;9-,10-;/m...1./s1.
What are the key properties of 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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?
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 has a molecular weight of 1663.80 g/mol, XLogP of 12.49, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;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 is sourced from PubChem (CID 161470455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).