7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione

C40H38N10O3 — CID 164971719

About 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione

7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione (PubChem CID 164971719) has the molecular formula C40H38N10O3 and a molecular weight of 706.81 g/mol. Its IUPAC name is 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione.

Molecular Properties

• Compound Name: 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione
• PubChem CID: 164971719
• Molecular Formula: C40H38N10O3
• Molecular Weight: 706.81 g/mol
• Exact Mass: 706.31
• IUPAC Name: 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione
• SMILES: CN(C)Cc1[nH]c2ccccc2c1C1NC(=O)c2cc3cn[nH]c3cc21.CN(C)Cc1cc2ccccc2[nH]1.O=C1NC(=O)c2cc3[nH]ncc3cc21
• InChI: InChI=1S/C20H19N5O.C11H14N2.C9H5N3O2/c1-25(2)10-17-18(12-5-3-4-6-15(12)22-17)19-13-8-16-11(9-21-24-16)7-14(13)20(26)23-19;1-13(2)8-10-7-9-5-3-4-6-11(9)12-10;13-8-5-1-4-3-10-12-7(4)2-6(5)9(14)11-8/h3-9,19,22H,10H2,1-2H3,(H,21,24)(H,23,26);3-7,12H,8H2,1-2H3;1-3H,(H,10,12)(H,11,13,14)
• InChIKey: DFDFOMISFYBYEP-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 170.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	706.81
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione?

The IUPAC name of 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione (CID 164971719) is 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione.

What is the SMILES notation for 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione?

The canonical SMILES for 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione is CN(C)Cc1[nH]c2ccccc2c1C1NC(=O)c2cc3cn[nH]c3cc21.CN(C)Cc1cc2ccccc2[nH]1.O=C1NC(=O)c2cc3[nH]ncc3cc21.

What is the InChIKey of 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione?

The InChIKey is DFDFOMISFYBYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C11H14N2.C9H5N3O2/c1-25(2)10-17-18(12-5-3-4-6-15(12)22-17)19-13-8-16-11(9-21-24-16)7-14(13)20(26)23-19;1-13(2)8-10-7-9-5-3-4-6-11(9)12-10;13-8-5-1-4-3-10-12-7(4)2-6(5)9(14)11-8/h3-9,19,22H,10H2,1-2H3,(H,21,24)(H,23,26);3-7,12H,8H2,1-2H3;1-3H,(H,10,12)(H,11,13,14).

What are the key properties of 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione?

7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione has a molecular weight of 706.81 g/mol, XLogP of 5.61, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[(dimethylamino)methyl]-1H-indol-3-yl]-6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one;1-(1H-indol-2-yl)-N,N-dimethylmethanamine;1H-pyrrolo[3,4-f]indazole-5,7-dione is sourced from PubChem (CID 164971719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).