dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride

C107H125Cl3Cs2N19O20PS3 — CID 159119589

IUPACdicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride
SMILESCC(=O)NCC(=O)N1CCC2(CCCN(Cc3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2=O)CC1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5nnc(C)o5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1n[nH]c(=O)o1.Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)o1.O=CO[O-].O=P(Cl)(Cl)Cl.[Cs+].[Cs+].[H-]
InChIInChI=1S/C29H34N4O5S.C28H31N5O4S.C25H29N3O3S.C21H25N5O2.C3H4N2O2.CH2O3.Cl3OP.2Cs.H/c1-21-8-10-24(11-9-21)39(37,38)33-20-23(25-6-3-4-7-26(25)33)19-32-15-5-12-29(28(32)36)13-16-31(17-14-29)27(35)18-30-22(2)34;1-20-8-10-23(11-9-20)38(35,36)33-19-22(24-6-3-4-7-25(24)33)18-32-15-5-12-28(26(32)34)13-16-31(17-14-28)27-30-29-21(2)37-27;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-15-23-24-20(28-15)25-11-8-21(9-12-25)7-4-10-26(19(21)27)14-16-13-22-18-6-3-2-5-17(16)18;1-2-4-5-3(6)7-2;2-1-4-3;1-5(2,3)4;;;/h3-4,6-11,20H,5,12-19H2,1-2H3,(H,30,34);3-4,6-11,19H,5,12-18H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-3,5-6,13,22H,4,7-12,14H2,1H3;1H3,(H,5,6);1,3H;;;;/q;;;;;;;2*+1;-1/p-1
InChIKeyYGLQRMVTMRMGHP-UHFFFAOYSA-M
MW2496.63 g/mol
LogP9.33
Rot. Bonds19

About dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride

dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride (PubChem CID 159119589) has the molecular formula C107H125Cl3Cs2N19O20PS3 and a molecular weight of 2496.63 g/mol. Its IUPAC name is dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride.

Molecular Properties

Compound Namedicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride
PubChem CID159119589
Molecular FormulaC107H125Cl3Cs2N19O20PS3
Molecular Weight2496.63 g/mol
Exact Mass2493.54
IUPAC Namedicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride
SMILESCC(=O)NCC(=O)N1CCC2(CCCN(Cc3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2=O)CC1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5nnc(C)o5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1n[nH]c(=O)o1.Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)o1.O=CO[O-].O=P(Cl)(Cl)Cl.[Cs+].[Cs+].[H-]
InChIInChI=1S/C29H34N4O5S.C28H31N5O4S.C25H29N3O3S.C21H25N5O2.C3H4N2O2.CH2O3.Cl3OP.2Cs.H/c1-21-8-10-24(11-9-21)39(37,38)33-20-23(25-6-3-4-7-26(25)33)19-32-15-5-12-29(28(32)36)13-16-31(17-14-29)27(35)18-30-22(2)34;1-20-8-10-23(11-9-20)38(35,36)33-19-22(24-6-3-4-7-25(24)33)18-32-15-5-12-28(26(32)34)13-16-31(17-14-28)27-30-29-21(2)37-27;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-15-23-24-20(28-15)25-11-8-21(9-12-25)7-4-10-26(19(21)27)14-16-13-22-18-6-3-2-5-17(16)18;1-2-4-5-3(6)7-2;2-1-4-3;1-5(2,3)4;;;/h3-4,6-11,20H,5,12-19H2,1-2H3,(H,30,34);3-4,6-11,19H,5,12-18H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-3,5-6,13,22H,4,7-12,14H2,1H3;1H3,(H,5,6);1,3H;;;;/q;;;;;;;2*+1;-1/p-1
InChIKeyYGLQRMVTMRMGHP-UHFFFAOYSA-M
XLogP9.33
TPSA485.32 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.63
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride 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 dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride?
The IUPAC name of dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride (CID 159119589) is dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride.
What is the SMILES notation for dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride?
The canonical SMILES for dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride is CC(=O)NCC(=O)N1CCC2(CCCN(Cc3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C2=O)CC1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5nnc(C)o5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1n[nH]c(=O)o1.Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)o1.O=CO[O-].O=P(Cl)(Cl)Cl.[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride?
The InChIKey is YGLQRMVTMRMGHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H34N4O5S.C28H31N5O4S.C25H29N3O3S.C21H25N5O2.C3H4N2O2.CH2O3.Cl3OP.2Cs.H/c1-21-8-10-24(11-9-21)39(37,38)33-20-23(25-6-3-4-7-26(25)33)19-32-15-5-12-29(28(32)36)13-16-31(17-14-29)27(35)18-30-22(2)34;1-20-8-10-23(11-9-20)38(35,36)33-19-22(24-6-3-4-7-25(24)33)18-32-15-5-12-28(26(32)34)13-16-31(17-14-28)27-30-29-21(2)37-27;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-15-23-24-20(28-15)25-11-8-21(9-12-25)7-4-10-26(19(21)27)14-16-13-22-18-6-3-2-5-17(16)18;1-2-4-5-3(6)7-2;2-1-4-3;1-5(2,3)4;;;/h3-4,6-11,20H,5,12-19H2,1-2H3,(H,30,34);3-4,6-11,19H,5,12-18H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-3,5-6,13,22H,4,7-12,14H2,1H3;1H3,(H,5,6);1,3H;;;;/q;;;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride?
dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride has a molecular weight of 2496.63 g/mol, XLogP of 9.33, 19 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;hydride;2-(1H-indol-3-ylmethyl)-9-(5-methyl-1,3,4-oxadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-1-one;5-methyl-3H-1,3,4-oxadiazol-2-one;9-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;N-[2-[2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide;oxido formate;phosphoryl trichloride is sourced from PubChem (CID 159119589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).