6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one

C51H59Cl4N11O6S — CID 157265399

IUPAC6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one
SMILESCC1(C)CN(c2cc(Cl)cc3c2CN=C3N)CCN1S(C)(=O)=O.O=C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.OC1(c2cc(Cl)cc3[nH]ncc23)CCCC1.OC1(c2cc(Cl)cc3[nH]ncc23)CCOCC1
InChIInChI=1S/C15H21ClN4O2S.C12H12ClN3O.C12H13ClN2O2.C12H13ClN2O/c1-15(2)9-19(4-5-20(15)23(3,21)22)13-7-10(16)6-11-12(13)8-18-14(11)17;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16;13-8-5-10(9-7-14-15-11(9)6-8)12(16)1-3-17-4-2-12;13-8-5-10(12(16)3-1-2-4-12)9-7-14-15-11(9)6-8/h6-7H,4-5,8-9H2,1-3H3,(H2,17,18);4-6H,1-3,7H2,(H,14,15);5-7,16H,1-4H2,(H,14,15);5-7,16H,1-4H2,(H,14,15)
InChIKeyAXXXQPGWSNUVBP-UHFFFAOYSA-N
MW1095.98 g/mol
LogP9.00
Rot. Bonds5

About 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one

6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one (PubChem CID 157265399) has the molecular formula C51H59Cl4N11O6S and a molecular weight of 1095.98 g/mol. Its IUPAC name is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one.

Molecular Properties

Compound Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one
PubChem CID157265399
Molecular FormulaC51H59Cl4N11O6S
Molecular Weight1095.98 g/mol
Exact Mass1093.31
IUPAC Name6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one
SMILESCC1(C)CN(c2cc(Cl)cc3c2CN=C3N)CCN1S(C)(=O)=O.O=C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.OC1(c2cc(Cl)cc3[nH]ncc23)CCCC1.OC1(c2cc(Cl)cc3[nH]ncc23)CCOCC1
InChIInChI=1S/C15H21ClN4O2S.C12H12ClN3O.C12H13ClN2O2.C12H13ClN2O/c1-15(2)9-19(4-5-20(15)23(3,21)22)13-7-10(16)6-11-12(13)8-18-14(11)17;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16;13-8-5-10(9-7-14-15-11(9)6-8)12(16)1-3-17-4-2-12;13-8-5-10(12(16)3-1-2-4-12)9-7-14-15-11(9)6-8/h6-7H,4-5,8-9H2,1-3H3,(H2,17,18);4-6H,1-3,7H2,(H,14,15);5-7,16H,1-4H2,(H,14,15);5-7,16H,1-4H2,(H,14,15)
InChIKeyAXXXQPGWSNUVBP-UHFFFAOYSA-N
XLogP9.00
TPSA235.04 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001095.98
LogP ≤ 59.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-(1-ethylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;6-chloro-4-(oxan-4-yl)-1H-indazole
CID 158442568
6-chloro-4-(1-ethylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide
CID 160458329
5-chloro-7-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3-methyl-1H-isoindole;1-(6-chloro-1H-indol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indol-4-yl)oxan-4-ol;1-(6-chloro-1H-indol-4-yl)piperidin-3-one;1-[4-(6-chloro-1-methyl-3H-isoindol-4-yl)piperazin-1-yl]ethanone
CID 161768141
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide
CID 162228582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one?
The IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one (CID 157265399) is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one.
What is the SMILES notation for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one?
The canonical SMILES for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one is CC1(C)CN(c2cc(Cl)cc3c2CN=C3N)CCN1S(C)(=O)=O.O=C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.OC1(c2cc(Cl)cc3[nH]ncc23)CCCC1.OC1(c2cc(Cl)cc3[nH]ncc23)CCOCC1.
What is the InChIKey of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one?
The InChIKey is AXXXQPGWSNUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2S.C12H12ClN3O.C12H13ClN2O2.C12H13ClN2O/c1-15(2)9-19(4-5-20(15)23(3,21)22)13-7-10(16)6-11-12(13)8-18-14(11)17;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16;13-8-5-10(9-7-14-15-11(9)6-8)12(16)1-3-17-4-2-12;13-8-5-10(12(16)3-1-2-4-12)9-7-14-15-11(9)6-8/h6-7H,4-5,8-9H2,1-3H3,(H2,17,18);4-6H,1-3,7H2,(H,14,15);5-7,16H,1-4H2,(H,14,15);5-7,16H,1-4H2,(H,14,15).
What are the key properties of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one?
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one has a molecular weight of 1095.98 g/mol, XLogP of 9.00, 5 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-3H-isoindol-1-amine;1-(6-chloro-1H-indazol-4-yl)cyclopentan-1-ol;4-(6-chloro-1H-indazol-4-yl)oxan-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-one is sourced from PubChem (CID 157265399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).