ethyl 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-carboxylate

C26H24N6O4 — CID 10227888

IUPACethyl 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-carboxylate
SMILESCCOC(=O)c1ncn2c1Cn1c(Cc3c[nH]c4c(OC)cccc34)nnc1-c1cc(OC)ccc1-2
InChIInChI=1S/C26H24N6O4/c1-4-36-26(33)24-20-13-31-22(10-15-12-27-23-17(15)6-5-7-21(23)35-3)29-30-25(31)18-11-16(34-2)8-9-19(18)32(20)14-28-24/h5-9,11-12,14,27H,4,10,13H2,1-3H3
InChIKeyZQKVPYQVHBHPFV-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.76
Rot. Bonds6

About ethyl 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-carboxylate

ethyl 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-carboxylate (PubChem CID 10227888) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is ethyl 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-carboxylate.

Molecular Properties

Compound Nameethyl 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-carboxylate
PubChem CID10227888
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Nameethyl 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-carboxylate
SMILESCCOC(=O)c1ncn2c1Cn1c(Cc3c[nH]c4c(OC)cccc34)nnc1-c1cc(OC)ccc1-2
InChIInChI=1S/C26H24N6O4/c1-4-36-26(33)24-20-13-31-22(10-15-12-27-23-17(15)6-5-7-21(23)35-3)29-30-25(31)18-11-16(34-2)8-9-19(18)32(20)14-28-24/h5-9,11-12,14,27H,4,10,13H2,1-3H3
InChIKeyZQKVPYQVHBHPFV-UHFFFAOYSA-N
XLogP3.76
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 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-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 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-carboxylate?
The IUPAC name of ethyl 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-carboxylate (CID 10227888) is ethyl 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-carboxylate.
What is the SMILES notation for ethyl 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-carboxylate?
The canonical SMILES for ethyl 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-carboxylate is CCOC(=O)c1ncn2c1Cn1c(Cc3c[nH]c4c(OC)cccc34)nnc1-c1cc(OC)ccc1-2.
What is the InChIKey of ethyl 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-carboxylate?
The InChIKey is ZQKVPYQVHBHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-4-36-26(33)24-20-13-31-22(10-15-12-27-23-17(15)6-5-7-21(23)35-3)29-30-25(31)18-11-16(34-2)8-9-19(18)32(20)14-28-24/h5-9,11-12,14,27H,4,10,13H2,1-3H3.
What are the key properties of ethyl 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-carboxylate?
ethyl 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-carboxylate has a molecular weight of 484.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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-carboxylate is sourced from PubChem (CID 10227888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).