[4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine

C92H94F8N10O9 — CID 159820238

About [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine

[4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine (PubChem CID 159820238) has the molecular formula C92H94F8N10O9 and a molecular weight of 1635.81 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine.

Molecular Properties

• Compound Name: [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine
• PubChem CID: 159820238
• Molecular Formula: C92H94F8N10O9
• Molecular Weight: 1635.81 g/mol
• Exact Mass: 1634.71
• IUPAC Name: [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)c1ccc(C=O)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)c1ccc(CN(C)C)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CNC
• InChI: InChI=1S/C46H47F4N5O4.C44H40F4N4O5.C2H7N/c1-8-30-11-10-12-31(9-2)39(30)55-40(37-26-53(45(4,5)42(37)51-55)25-33-17-18-34(23-28(33)3)46(48,49)50)35-19-20-38(47)41-36(35)21-22-54(41)44(57)59-27-58-43(56)32-15-13-29(14-16-32)24-52(6)7;1-6-28-9-8-10-29(7-2)37(28)52-38(35-23-50(43(4,5)40(35)49-52)22-31-15-16-32(21-26(31)3)44(46,47)48)33-17-18-36(45)39-34(33)19-20-51(39)42(55)57-25-56-41(54)30-13-11-27(24-53)12-14-30;1-3-2/h10-23H,8-9,24-27H2,1-7H3;8-21,24H,6-7,22-23,25H2,1-5H3;3H,1-2H3
• InChIKey: NMDHQTHUVCXGLY-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 189.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.81
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine?

The IUPAC name of [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine (CID 159820238) is [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine.

What is the SMILES notation for [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine?

The canonical SMILES for [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)c1ccc(C=O)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)c1ccc(CN(C)C)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CNC.

What is the InChIKey of [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine?

The InChIKey is NMDHQTHUVCXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47F4N5O4.C44H40F4N4O5.C2H7N/c1-8-30-11-10-12-31(9-2)39(30)55-40(37-26-53(45(4,5)42(37)51-55)25-33-17-18-34(23-28(33)3)46(48,49)50)35-19-20-38(47)41-36(35)21-22-54(41)44(57)59-27-58-43(56)32-15-13-29(14-16-32)24-52(6)7;1-6-28-9-8-10-29(7-2)37(28)52-38(35-23-50(43(4,5)40(35)49-52)22-31-15-16-32(21-26(31)3)44(46,47)48)33-17-18-36(45)39-34(33)19-20-51(39)42(55)57-25-56-41(54)30-13-11-27(24-53)12-14-30;1-3-2/h10-23H,8-9,24-27H2,1-7H3;8-21,24H,6-7,22-23,25H2,1-5H3;3H,1-2H3.

What are the key properties of [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine?

[4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine has a molecular weight of 1635.81 g/mol, XLogP of 19.98, 21 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(dimethylamino)methyl]benzoyl]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;(4-formylbenzoyl)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;N-methylmethanamine is sourced from PubChem (CID 159820238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).