3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate

C62H61N11O7 — CID 159311513

About 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate (PubChem CID 159311513) has the molecular formula C62H61N11O7 and a molecular weight of 1072.24 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate.

Molecular Properties

• Compound Name: 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
• PubChem CID: 159311513
• Molecular Formula: C62H61N11O7
• Molecular Weight: 1072.24 g/mol
• Exact Mass: 1071.48
• IUPAC Name: 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
• SMILES: CN(C)CCCn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc2ccccc2c1C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O.COC(=O)C(=O)c1cn(C)c2ccccc12
• InChI: InChI=1S/2C25H25N5O2.C12H11NO3/c1-28(2)13-8-14-30-23(17-10-4-6-11-19(17)27-30)22-21(24(31)26-25(22)32)18-15-29(3)20-12-7-5-9-16(18)20;1-28(2)13-8-14-30-20-12-7-5-10-17(20)23(27-30)22-21(24(31)26-25(22)32)18-15-29(3)19-11-6-4-9-16(18)19;1-13-7-9(11(14)12(15)16-2)8-5-3-4-6-10(8)13/h2*4-7,9-12,15H,8,13-14H2,1-3H3,(H,26,31,32);3-7H,1-2H3
• InChIKey: LCPLZDNXSPLMKR-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 192.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.24
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate?

The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate (CID 159311513) is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate.

What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate?

The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate is CN(C)CCCn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc2ccccc2c1C1=C(c2cn(C)c3ccccc23)C(=O)NC1=O.COC(=O)C(=O)c1cn(C)c2ccccc12.

What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate?

The InChIKey is LCPLZDNXSPLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25N5O2.C12H11NO3/c1-28(2)13-8-14-30-23(17-10-4-6-11-19(17)27-30)22-21(24(31)26-25(22)32)18-15-29(3)20-12-7-5-9-16(18)20;1-28(2)13-8-14-30-20-12-7-5-10-17(20)23(27-30)22-21(24(31)26-25(22)32)18-15-29(3)19-11-6-4-9-16(18)19;1-13-7-9(11(14)12(15)16-2)8-5-3-4-6-10(8)13/h2*4-7,9-12,15H,8,13-14H2,1-3H3,(H,26,31,32);3-7H,1-2H3.

What are the key properties of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate?

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate has a molecular weight of 1072.24 g/mol, XLogP of 7.63, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate is sourced from PubChem (CID 159311513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).