iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane

C81H93F8IN8O11P2 — CID 159040640

About iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane

iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane (PubChem CID 159040640) has the molecular formula C81H93F8IN8O11P2 and a molecular weight of 1695.52 g/mol. Its IUPAC name is iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane.

Molecular Properties

• Compound Name: iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane
• PubChem CID: 159040640
• Molecular Formula: C81H93F8IN8O11P2
• Molecular Weight: 1695.52 g/mol
• Exact Mass: 1694.54
• IUPAC Name: iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane
• SMILES: C1CCOC1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCI)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOP(C)(=O)OC)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.COP(C)(=O)OC
• InChI: InChI=1S/C38H41F4N4O5P.C36H35F4IN4O2.C4H8O.C3H9O3P/c1-8-24-11-10-12-25(9-2)32(24)46-33(28-15-16-31(39)34-29(28)17-18-45(34)36(47)50-22-51-52(7,48)49-6)30-21-44(37(4,5)35(30)43-46)20-26-13-14-27(19-23(26)3)38(40,41)42;1-6-22-9-8-10-23(7-2)30(22)45-31(26-13-14-29(37)32-27(26)15-16-44(32)34(46)47-20-41)28-19-43(35(4,5)33(28)42-45)18-24-11-12-25(17-21(24)3)36(38,39)40;1-2-4-5-3-1;1-5-7(3,4)6-2/h10-19H,8-9,20-22H2,1-7H3;8-17H,6-7,18-20H2,1-5H3;1-4H2;1-3H3
• InChIKey: JVZXWGFDFXKYAL-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 184.87 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.52
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane?

The IUPAC name of iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane (CID 159040640) is iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane.

What is the SMILES notation for iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane?

The canonical SMILES for iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane is C1CCOC1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCI)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOP(C)(=O)OC)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.COP(C)(=O)OC.

What is the InChIKey of iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane?

The InChIKey is JVZXWGFDFXKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F4N4O5P.C36H35F4IN4O2.C4H8O.C3H9O3P/c1-8-24-11-10-12-25(9-2)32(24)46-33(28-15-16-31(39)34-29(28)17-18-45(34)36(47)50-22-51-52(7,48)49-6)30-21-44(37(4,5)35(30)43-46)20-26-13-14-27(19-23(26)3)38(40,41)42;1-6-22-9-8-10-23(7-2)30(22)45-31(26-13-14-29(37)32-27(26)15-16-44(32)34(46)47-20-41)28-19-43(35(4,5)33(28)42-45)18-24-11-12-25(17-21(24)3)36(38,39)40;1-2-4-5-3-1;1-5-7(3,4)6-2/h10-19H,8-9,20-22H2,1-7H3;8-17H,6-7,18-20H2,1-5H3;1-4H2;1-3H3.

What are the key properties of iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane?

iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane has a molecular weight of 1695.52 g/mol, XLogP of 21.38, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;[methoxy(methyl)phosphoryl]oxymethane;[methoxy(methyl)phosphoryl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;oxolane is sourced from PubChem (CID 159040640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).