lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride

C50H62AlF2LiN6O5S2 — CID 159455972

IUPAClithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
SMILESCc1c(CCC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.Cc1c(CCCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H28FN3O3S.C25H30FN3O2S.Al.Li.4H/c1-15-19-12-17(26)7-8-23(19)27-22(15)9-10-24(30)29-13-20-21(14-29)25(20,2)16-5-4-6-18(11-16)28-33(3,31)32;1-16-20-13-18(26)9-10-24(20)27-23(16)8-5-11-29-14-21-22(15-29)25(21,2)17-6-4-7-19(12-17)28-32(3,30)31;;;;;;/h4-8,11-12,20-21,27-28H,9-10,13-14H2,1-3H3;4,6-7,9-10,12-13,21-22,27-28H,5,8,11,14-15H2,1-3H3;;;;;;/q;;;+1;;;;-1
InChIKeyVTLJAQDKCTXJRF-UHFFFAOYSA-N
MW963.14 g/mol
LogP4.34
Rot. Bonds13

About lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride

lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride (PubChem CID 159455972) has the molecular formula C50H62AlF2LiN6O5S2 and a molecular weight of 963.14 g/mol. Its IUPAC name is lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride.

Molecular Properties

Compound Namelithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
PubChem CID159455972
Molecular FormulaC50H62AlF2LiN6O5S2
Molecular Weight963.14 g/mol
Exact Mass962.42
IUPAC Namelithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride
SMILESCc1c(CCC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.Cc1c(CCCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.[AlH3].[H-].[Li+]
InChIInChI=1S/C25H28FN3O3S.C25H30FN3O2S.Al.Li.4H/c1-15-19-12-17(26)7-8-23(19)27-22(15)9-10-24(30)29-13-20-21(14-29)25(20,2)16-5-4-6-18(11-16)28-33(3,31)32;1-16-20-13-18(26)9-10-24(20)27-23(16)8-5-11-29-14-21-22(15-29)25(21,2)17-6-4-7-19(12-17)28-32(3,30)31;;;;;;/h4-8,11-12,20-21,27-28H,9-10,13-14H2,1-3H3;4,6-7,9-10,12-13,21-22,27-28H,5,8,11,14-15H2,1-3H3;;;;;;/q;;;+1;;;;-1
InChIKeyVTLJAQDKCTXJRF-UHFFFAOYSA-N
XLogP4.34
TPSA147.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500963.14
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The IUPAC name of lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride (CID 159455972) is lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride.
What is the SMILES notation for lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The canonical SMILES for lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride is Cc1c(CCC(=O)N2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.Cc1c(CCCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)[nH]c2ccc(F)cc12.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
The InChIKey is VTLJAQDKCTXJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S.C25H30FN3O2S.Al.Li.4H/c1-15-19-12-17(26)7-8-23(19)27-22(15)9-10-24(30)29-13-20-21(14-29)25(20,2)16-5-4-6-18(11-16)28-33(3,31)32;1-16-20-13-18(26)9-10-24(20)27-23(16)8-5-11-29-14-21-22(15-29)25(21,2)17-6-4-7-19(12-17)28-32(3,30)31;;;;;;/h4-8,11-12,20-21,27-28H,9-10,13-14H2,1-3H3;4,6-7,9-10,12-13,21-22,27-28H,5,8,11,14-15H2,1-3H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride?
lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride has a molecular weight of 963.14 g/mol, XLogP of 4.34, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propanoyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;N-[3-[3-[3-(5-fluoro-3-methyl-1H-indol-2-yl)propyl]-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]methanesulfonamide;hydride is sourced from PubChem (CID 159455972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).