[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate

C23H15N3O3 — CID 5330566

IUPAC[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1cccnc1
InChIInChI=1S/C23H15N3O3/c27-22(20-11-14-4-1-2-6-18(14)25-20)21-12-16-10-17(7-8-19(16)26-21)29-23(28)15-5-3-9-24-13-15/h1-13,25-26H
InChIKeySGZMABKXCSXQTM-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.49
Rot. Bonds4

About [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate

[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate (PubChem CID 5330566) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate
PubChem CID5330566
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1cccnc1
InChIInChI=1S/C23H15N3O3/c27-22(20-11-14-4-1-2-6-18(14)25-20)21-12-16-10-17(7-8-19(16)26-21)29-23(28)15-5-3-9-24-13-15/h1-13,25-26H
InChIKeySGZMABKXCSXQTM-UHFFFAOYSA-N
XLogP4.49
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate?
The IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate (CID 5330566) is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate?
The canonical SMILES for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate is O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1cccnc1.
What is the InChIKey of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate?
The InChIKey is SGZMABKXCSXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3/c27-22(20-11-14-4-1-2-6-18(14)25-20)21-12-16-10-17(7-8-19(16)26-21)29-23(28)15-5-3-9-24-13-15/h1-13,25-26H.
What are the key properties of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate?
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] pyridine-3-carboxylate is sourced from PubChem (CID 5330566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).