methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

C26H27N3O7 — CID 71001695

IUPACmethyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
SMILESCC[C@@H]1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc(O)c3[nH]cc(C(=O)OC)c3c21
InChIInChI=1S/C26H27N3O7/c1-6-12-11-29(16-9-17(30)22-20(19(12)16)14(10-27-22)26(32)36-5)25(31)15-7-13-8-18(33-2)23(34-3)24(35-4)21(13)28-15/h7-10,12,27-28,30H,6,11H2,1-5H3/t12-/m1/s1
InChIKeyCDUXUPZKTXISRX-GFCCVEGCSA-N
MW493.52 g/mol
LogP4.32
Rot. Bonds6

About methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate (PubChem CID 71001695) has the molecular formula C26H27N3O7 and a molecular weight of 493.52 g/mol. Its IUPAC name is methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
PubChem CID71001695
Molecular FormulaC26H27N3O7
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Namemethyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate
SMILESCC[C@@H]1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc(O)c3[nH]cc(C(=O)OC)c3c21
InChIInChI=1S/C26H27N3O7/c1-6-12-11-29(16-9-17(30)22-20(19(12)16)14(10-27-22)26(32)36-5)25(31)15-7-13-8-18(33-2)23(34-3)24(35-4)21(13)28-15/h7-10,12,27-28,30H,6,11H2,1-5H3/t12-/m1/s1
InChIKeyCDUXUPZKTXISRX-GFCCVEGCSA-N
XLogP4.32
TPSA126.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate?
The IUPAC name of methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate (CID 71001695) is methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate.
What is the SMILES notation for methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate?
The canonical SMILES for methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate is CC[C@@H]1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc(O)c3[nH]cc(C(=O)OC)c3c21.
What is the InChIKey of methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate?
The InChIKey is CDUXUPZKTXISRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C26H27N3O7/c1-6-12-11-29(16-9-17(30)22-20(19(12)16)14(10-27-22)26(32)36-5)25(31)15-7-13-8-18(33-2)23(34-3)24(35-4)21(13)28-15/h7-10,12,27-28,30H,6,11H2,1-5H3/t12-/m1/s1.
What are the key properties of methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate?
methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate has a molecular weight of 493.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S)-8-ethyl-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate is sourced from PubChem (CID 71001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).