6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde

C92H76N18O14 — CID 158508405

About 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde

6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde (PubChem CID 158508405) has the molecular formula C92H76N18O14 and a molecular weight of 1657.73 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde.

Molecular Properties

• Compound Name: 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde
• PubChem CID: 158508405
• Molecular Formula: C92H76N18O14
• Molecular Weight: 1657.73 g/mol
• Exact Mass: 1656.58
• IUPAC Name: 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde
• SMILES: CNC(=O)c1cc2c(cn1)[nH]c1ccc(C=O)cc12.COC(=O)c1cc2c(cn1)[nH]c1ccc(C=O)cc12.COc1cc2[nH]c3c(C)nc(C=O)cc3c2cc1OC.O=Cc1ccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1.O=Cc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1.O=Cc1ccc2[nH]c3cnc(C(=O)O)cc3c2c1
• InChI: InChI=1S/C21H19N5O.C15H14N4O2.C15H14N2O3.C14H11N3O2.C14H10N2O3.C13H8N2O3/c27-13-15-6-7-18-17(12-15)19-20(24-18)21(23-14-22-19)26-10-8-25(9-11-26)16-4-2-1-3-5-16;20-8-10-1-2-12-11(7-10)13-14(18-12)15(17-9-16-13)19-3-5-21-6-4-19;1-8-15-11(4-9(7-18)16-8)10-5-13(19-2)14(20-3)6-12(10)17-15;1-15-14(19)12-5-10-9-4-8(7-18)2-3-11(9)17-13(10)6-16-12;1-19-14(18)12-5-10-9-4-8(7-17)2-3-11(9)16-13(10)6-15-12;16-6-7-1-2-10-8(3-7)9-4-11(13(17)18)14-5-12(9)15-10/h1-7,12-14,24H,8-11H2;1-2,7-9,18H,3-6H2;4-7,17H,1-3H3;2-7,17H,1H3,(H,15,19);2-7,16H,1H3;1-6,15H,(H,17,18)
• InChIKey: HKTAKEGEFRYLOY-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 430.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1657.73
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde?

The IUPAC name of 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde (CID 158508405) is 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde.

What is the SMILES notation for 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde?

The canonical SMILES for 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde is CNC(=O)c1cc2c(cn1)[nH]c1ccc(C=O)cc12.COC(=O)c1cc2c(cn1)[nH]c1ccc(C=O)cc12.COc1cc2[nH]c3c(C)nc(C=O)cc3c2cc1OC.O=Cc1ccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1.O=Cc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1.O=Cc1ccc2[nH]c3cnc(C(=O)O)cc3c2c1.

What is the InChIKey of 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde?

The InChIKey is HKTAKEGEFRYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C15H14N4O2.C15H14N2O3.C14H11N3O2.C14H10N2O3.C13H8N2O3/c27-13-15-6-7-18-17(12-15)19-20(24-18)21(23-14-22-19)26-10-8-25(9-11-26)16-4-2-1-3-5-16;20-8-10-1-2-12-11(7-10)13-14(18-12)15(17-9-16-13)19-3-5-21-6-4-19;1-8-15-11(4-9(7-18)16-8)10-5-13(19-2)14(20-3)6-12(10)17-15;1-15-14(19)12-5-10-9-4-8(7-18)2-3-11(9)17-13(10)6-16-12;1-19-14(18)12-5-10-9-4-8(7-17)2-3-11(9)16-13(10)6-15-12;16-6-7-1-2-10-8(3-7)9-4-11(13(17)18)14-5-12(9)15-10/h1-7,12-14,24H,8-11H2;1-2,7-9,18H,3-6H2;4-7,17H,1-3H3;2-7,17H,1H3,(H,15,19);2-7,16H,1H3;1-6,15H,(H,17,18).

What are the key properties of 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde?

6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde has a molecular weight of 1657.73 g/mol, XLogP of 14.29, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-1-methyl-9H-pyrido[3,4-b]indole-3-carbaldehyde;6-formyl-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide;6-formyl-9H-pyrido[3,4-b]indole-3-carboxylic acid;methyl 6-formyl-9H-pyrido[3,4-b]indole-3-carboxylate;4-morpholin-4-yl-5H-pyrimido[5,4-b]indole-8-carbaldehyde;4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole-8-carbaldehyde is sourced from PubChem (CID 158508405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).