3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one

C18H15N3O — CID 70680957

IUPAC3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCCc1cccc2c(C=C3C(=O)Nc4cccnc43)c[nH]c12
InChIInChI=1S/C18H15N3O/c1-2-11-5-3-6-13-12(10-20-16(11)13)9-14-17-15(21-18(14)22)7-4-8-19-17/h3-10,20H,2H2,1H3,(H,21,22)
InChIKeyKIIYKJLDLXOYHM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.62
Rot. Bonds2

About 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one

3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 70680957) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID70680957
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCCc1cccc2c(C=C3C(=O)Nc4cccnc43)c[nH]c12
InChIInChI=1S/C18H15N3O/c1-2-11-5-3-6-13-12(10-20-16(11)13)9-14-17-15(21-18(14)22)7-4-8-19-17/h3-10,20H,2H2,1H3,(H,21,22)
InChIKeyKIIYKJLDLXOYHM-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one (CID 70680957) is 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is CCc1cccc2c(C=C3C(=O)Nc4cccnc43)c[nH]c12.
What is the InChIKey of 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is KIIYKJLDLXOYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-11-5-3-6-13-12(10-20-16(11)13)9-14-17-15(21-18(14)22)7-4-8-19-17/h3-10,20H,2H2,1H3,(H,21,22).
What are the key properties of 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one?
3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 289.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-ethyl-1H-indol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 70680957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).