6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C64H81Cl2FN10O6S2 — CID 158207701

IUPAC6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ccc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ccc23)C1
InChIInChI=1S/C19H25N3O.C18H25N3O2S.C14H16ClFN2O2S.C13H15ClN2O/c1-13(23)22-9-8-21(12-19(22,2)3)18-11-15(14-4-5-14)10-17-16(18)6-7-20-17;1-18(2)12-20(8-9-21(18)24(3,22)23)17-11-14(13-4-5-13)10-16-15(17)6-7-19-16;1-21(19,20)18-6-3-14(16,4-7-18)12-8-10(15)9-13-11(12)2-5-17-13;14-9-6-12-11(3-4-15-12)13(7-9)16-5-1-2-10(17)8-16/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3;6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3;2,5,8-9,17H,3-4,6-7H2,1H3;3-4,6-7,10,15,17H,1-2,5,8H2
InChIKeyGBRRAKIAAXXRSP-UHFFFAOYSA-N
MW1240.45 g/mol
LogP12.22
Rot. Bonds8

About 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 158207701) has the molecular formula C64H81Cl2FN10O6S2 and a molecular weight of 1240.45 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
PubChem CID158207701
Molecular FormulaC64H81Cl2FN10O6S2
Molecular Weight1240.45 g/mol
Exact Mass1238.51
IUPAC Name6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ccc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ccc23)C1
InChIInChI=1S/C19H25N3O.C18H25N3O2S.C14H16ClFN2O2S.C13H15ClN2O/c1-13(23)22-9-8-21(12-19(22,2)3)18-11-15(14-4-5-14)10-17-16(18)6-7-20-17;1-18(2)12-20(8-9-21(18)24(3,22)23)17-11-14(13-4-5-13)10-16-15(17)6-7-19-16;1-21(19,20)18-6-3-14(16,4-7-18)12-8-10(15)9-13-11(12)2-5-17-13;14-9-6-12-11(3-4-15-12)13(7-9)16-5-1-2-10(17)8-16/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3;6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3;2,5,8-9,17H,3-4,6-7H2,1H3;3-4,6-7,10,15,17H,1-2,5,8H2
InChIKeyGBRRAKIAAXXRSP-UHFFFAOYSA-N
XLogP12.22
TPSA188.18 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001240.45
LogP ≤ 512.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157336861
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
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
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159992631
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 161985617
N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 162050525
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 157055211
1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
CID 157172602
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 157214604
1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 157304330
6-(6-chloro-1H-indol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]methanesulfonamide;trans-(1S,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol
CID 157421233

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 158207701) is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ccc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ccc23)C1.
What is the InChIKey of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The InChIKey is GBRRAKIAAXXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C18H25N3O2S.C14H16ClFN2O2S.C13H15ClN2O/c1-13(23)22-9-8-21(12-19(22,2)3)18-11-15(14-4-5-14)10-17-16(18)6-7-20-17;1-18(2)12-20(8-9-21(18)24(3,22)23)17-11-14(13-4-5-13)10-16-15(17)6-7-19-16;1-21(19,20)18-6-3-14(16,4-7-18)12-8-10(15)9-13-11(12)2-5-17-13;14-9-6-12-11(3-4-15-12)13(7-9)16-5-1-2-10(17)8-16/h6-7,10-11,14,20H,4-5,8-9,12H2,1-3H3;6-7,10-11,13,19H,4-5,8-9,12H2,1-3H3;2,5,8-9,17H,3-4,6-7H2,1H3;3-4,6-7,10,15,17H,1-2,5,8H2.
What are the key properties of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1240.45 g/mol, XLogP of 12.22, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-(6-chloro-1H-indol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(6-cyclopropyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 158207701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).