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

C24H20N4O5 — CID 46888156

IUPACmethyl (1R,12S)-10-[5-(methylcarbamoyl)-1H-indole-2-carbonyl]-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
SMILESCNC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1
InChIInChI=1S/C24H20N4O5/c1-25-21(30)11-3-4-15-12(5-11)6-16(26-15)22(31)28-10-13-9-24(13)14-7-17(23(32)33-2)27-20(14)18(29)8-19(24)28/h3-8,13,26-27H,9-10H2,1-2H3,(H,25,30)/t13-,24-/m1/s1
InChIKeyONYJXXZTQWJVPZ-YEBMWUKDSA-N
MW444.45 g/mol
LogP2.14
Rot. Bonds3

About methyl (1R,12S)-10-[5-(methylcarbamoyl)-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-(methylcarbamoyl)-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 46888156) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is methyl (1R,12S)-10-[5-(methylcarbamoyl)-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-(methylcarbamoyl)-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 CID46888156
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Namemethyl (1R,12S)-10-[5-(methylcarbamoyl)-1H-indole-2-carbonyl]-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
SMILESCNC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C(=O)OC)cc35)cc2c1
InChIInChI=1S/C24H20N4O5/c1-25-21(30)11-3-4-15-12(5-11)6-16(26-15)22(31)28-10-13-9-24(13)14-7-17(23(32)33-2)27-20(14)18(29)8-19(24)28/h3-8,13,26-27H,9-10H2,1-2H3,(H,25,30)/t13-,24-/m1/s1
InChIKeyONYJXXZTQWJVPZ-YEBMWUKDSA-N
XLogP2.14
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (1R,12S)-10-[5-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-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 46888156) is methyl (1R,12S)-10-[5-(methylcarbamoyl)-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-(methylcarbamoyl)-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-(methylcarbamoyl)-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 CNC(=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-(methylcarbamoyl)-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 ONYJXXZTQWJVPZ-YEBMWUKDSA-N. The full InChI is InChI=1S/C24H20N4O5/c1-25-21(30)11-3-4-15-12(5-11)6-16(26-15)22(31)28-10-13-9-24(13)14-7-17(23(32)33-2)27-20(14)18(29)8-19(24)28/h3-8,13,26-27H,9-10H2,1-2H3,(H,25,30)/t13-,24-/m1/s1.
What are the key properties of methyl (1R,12S)-10-[5-(methylcarbamoyl)-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-(methylcarbamoyl)-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 444.45 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,12S)-10-[5-(methylcarbamoyl)-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 46888156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).