15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid

C24H20N6O4 — CID 70009153

About 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid

15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid (PubChem CID 70009153) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid.

Molecular Properties

• Compound Name: 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid
• PubChem CID: 70009153
• Molecular Formula: C24H20N6O4
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.15
• IUPAC Name: 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid
• SMILES: COc1ccc2c(c1)-c1nnc(Cc3c[nH]c4c(OC)cccc34)n1Cc1c(C(=O)O)ncn1-2
• InChI: InChI=1S/C24H20N6O4/c1-33-14-6-7-17-16(9-14)23-28-27-20(29(23)11-18-22(24(31)32)26-12-30(17)18)8-13-10-25-21-15(13)4-3-5-19(21)34-2/h3-7,9-10,12,25H,8,11H2,1-2H3,(H,31,32)
• InChIKey: CXWPTRGQEAYVHR-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 120.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid?

The IUPAC name of 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid (CID 70009153) is 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid.

What is the SMILES notation for 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid?

The canonical SMILES for 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid is COc1ccc2c(c1)-c1nnc(Cc3c[nH]c4c(OC)cccc34)n1Cc1c(C(=O)O)ncn1-2.

What is the InChIKey of 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid?

The InChIKey is CXWPTRGQEAYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-33-14-6-7-17-16(9-14)23-28-27-20(29(23)11-18-22(24(31)32)26-12-30(17)18)8-13-10-25-21-15(13)4-3-5-19(21)34-2/h3-7,9-10,12,25H,8,11H2,1-2H3,(H,31,32).

What are the key properties of 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid?

15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid has a molecular weight of 456.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methoxy-9-[(7-methoxy-1H-indol-3-yl)methyl]-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxylic acid is sourced from PubChem (CID 70009153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).