methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate

C24H19N3O6 — CID 46888109

IUPACmethyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1
InChIInChI=1S/C24H19N3O6/c1-32-22(30)11-3-4-15-12(5-11)6-16(25-15)21(29)27-10-13-9-24(13)14-7-17(23(31)33-2)26-20(14)18(28)8-19(24)27/h3-8,13,25-26H,9-10H2,1-2H3/t13-,24-/m1/s1
InChIKeyLMVOLPMCDMCTKT-YEBMWUKDSA-N
MW445.43 g/mol
LogP2.56
Rot. Bonds3

About methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate

methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate (PubChem CID 46888109) has the molecular formula C24H19N3O6 and a molecular weight of 445.43 g/mol. Its IUPAC name is methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
PubChem CID46888109
Molecular FormulaC24H19N3O6
Molecular Weight445.43 g/mol
Exact Mass445.13
IUPAC Namemethyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1
InChIInChI=1S/C24H19N3O6/c1-32-22(30)11-3-4-15-12(5-11)6-16(25-15)21(29)27-10-13-9-24(13)14-7-17(23(31)33-2)26-20(14)18(28)8-19(24)27/h3-8,13,25-26H,9-10H2,1-2H3/t13-,24-/m1/s1
InChIKeyLMVOLPMCDMCTKT-YEBMWUKDSA-N
XLogP2.56
TPSA121.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate?
The IUPAC name of methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate (CID 46888109) is methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate.
What is the SMILES notation for methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate?
The canonical SMILES for methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate is COC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1.
What is the InChIKey of methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate?
The InChIKey is LMVOLPMCDMCTKT-YEBMWUKDSA-N. The full InChI is InChI=1S/C24H19N3O6/c1-32-22(30)11-3-4-15-12(5-11)6-16(25-15)21(29)27-10-13-9-24(13)14-7-17(23(31)33-2)26-20(14)18(28)8-19(24)27/h3-8,13,25-26H,9-10H2,1-2H3/t13-,24-/m1/s1.
What are the key properties of methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate?
methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate has a molecular weight of 445.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,12S)-10-(5-methoxycarbonyl-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate is sourced from PubChem (CID 46888109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).