dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate

C99H116BCl4Cs2F3FeN12O14P2PdS — CID 161061251

IUPACdicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.ClCCl.Cl[Pd]Cl.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.O=C([O-])[O-].[Cs+].[Cs+].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C28H32N6O3.C25H27F3N4O6S.2C17H19P.C10H17BN2O2.CH2Cl2.CH2O3.2ClH.2Cs.Fe.Pd/c1-28(2)17-37-13-12-33(28)27(35)25-22-7-6-18-14-24(36-5)20(21-9-11-32(4)30-21)15-23(18)34(22)26(29-25)19-8-10-31(3)16-19;1-24(2)14-37-10-9-31(24)23(33)21-17-6-5-15-11-19(36-4)20(38-39(34,35)25(26,27)28)12-18(15)32(17)22(29-21)16-7-8-30(3)13-16;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;2-1-3;2-1(3)4;;;;;;/h8-11,14-16H,6-7,12-13,17H2,1-5H3;7-8,11-13H,5-6,9-10,14H2,1-4H3;2*1-6,9-12,17H,7-8,13-14H2;6-7H,1-5H3;1H2;(H2,2,3,4);2*1H;;;;/q;;;;;;;;;2*+1;;+2/p-4
InChIKeyNTDRWEAGLGOHDX-UHFFFAOYSA-J
MW2429.79 g/mol
LogP10.30
Rot. Bonds16

About dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate

dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate (PubChem CID 161061251) has the molecular formula C99H116BCl4Cs2F3FeN12O14P2PdS and a molecular weight of 2429.79 g/mol. Its IUPAC name is dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate.

Molecular Properties

Compound Namedicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate
PubChem CID161061251
Molecular FormulaC99H116BCl4Cs2F3FeN12O14P2PdS
Molecular Weight2429.79 g/mol
Exact Mass2426.32
IUPAC Namedicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.ClCCl.Cl[Pd]Cl.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.O=C([O-])[O-].[Cs+].[Cs+].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1
InChIInChI=1S/C28H32N6O3.C25H27F3N4O6S.2C17H19P.C10H17BN2O2.CH2Cl2.CH2O3.2ClH.2Cs.Fe.Pd/c1-28(2)17-37-13-12-33(28)27(35)25-22-7-6-18-14-24(36-5)20(21-9-11-32(4)30-21)15-23(18)34(22)26(29-25)19-8-10-31(3)16-19;1-24(2)14-37-10-9-31(24)23(33)21-17-6-5-15-11-19(36-4)20(38-39(34,35)25(26,27)28)12-18(15)32(17)22(29-21)16-7-8-30(3)13-16;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;2-1-3;2-1(3)4;;;;;;/h8-11,14-16H,6-7,12-13,17H2,1-5H3;7-8,11-13H,5-6,9-10,14H2,1-4H3;2*1-6,9-12,17H,7-8,13-14H2;6-7H,1-5H3;1H2;(H2,2,3,4);2*1H;;;;/q;;;;;;;;;2*+1;;+2/p-4
InChIKeyNTDRWEAGLGOHDX-UHFFFAOYSA-J
XLogP10.30
TPSA283.70 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.79
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate with MolForge

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

Launch Full Analysis

Related Compounds

(3,3-Dimethylmorpholin-4-yl)-[7-methoxy-1-(4-methylcyclohexen-1-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-[2-(2-methylpropyl)pyrazol-3-yl]-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(oxan-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(oxan-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(2-propylpyrazol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
CID 160793949

Frequently Asked Questions

What is the IUPAC name of dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate?
The IUPAC name of dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate (CID 161061251) is dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate.
What is the SMILES notation for dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate?
The canonical SMILES for dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate is COc1cc2c(cc1-c1ccn(C)n1)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1OS(=O)(=O)C(F)(F)F)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.ClCCl.Cl[Pd]Cl.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.O=C([O-])[O-].[Cs+].[Cs+].[Fe].c1ccc(P(c2ccccc2)C2CCCC2)cc1.c1ccc(P(c2ccccc2)C2CCCC2)cc1.
What is the InChIKey of dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate?
The InChIKey is NTDRWEAGLGOHDX-UHFFFAOYSA-J. The full InChI is InChI=1S/C28H32N6O3.C25H27F3N4O6S.2C17H19P.C10H17BN2O2.CH2Cl2.CH2O3.2ClH.2Cs.Fe.Pd/c1-28(2)17-37-13-12-33(28)27(35)25-22-7-6-18-14-24(36-5)20(21-9-11-32(4)30-21)15-23(18)34(22)26(29-25)19-8-10-31(3)16-19;1-24(2)14-37-10-9-31(24)23(33)21-17-6-5-15-11-19(36-4)20(38-39(34,35)25(26,27)28)12-18(15)32(17)22(29-21)16-7-8-30(3)13-16;2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;2-1-3;2-1(3)4;;;;;;/h8-11,14-16H,6-7,12-13,17H2,1-5H3;7-8,11-13H,5-6,9-10,14H2,1-4H3;2*1-6,9-12,17H,7-8,13-14H2;6-7H,1-5H3;1H2;(H2,2,3,4);2*1H;;;;/q;;;;;;;;;2*+1;;+2/p-4.
What are the key properties of dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate?
dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate has a molecular weight of 2429.79 g/mol, XLogP of 10.30, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;bis(cyclopentyl(diphenyl)phosphane);dichloromethane;dichloropalladium;[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-8-yl] trifluoromethanesulfonate;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;iron;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;carbonate is sourced from PubChem (CID 161061251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).