2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

C26H22N4O — CID 58374592

IUPAC2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc2cccc(-c3ccc4c(ccn4Cc4ccccc4)c3)n2n1)C1CC1
InChIInChI=1S/C26H22N4O/c31-24(19-9-10-19)16-25-27-26-8-4-7-23(30(26)28-25)20-11-12-22-21(15-20)13-14-29(22)17-18-5-2-1-3-6-18/h1-8,11-15,19H,9-10,16-17H2
InChIKeyOEFUBNYAWDONHF-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.92
Rot. Bonds6

About 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone

2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (PubChem CID 58374592) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
PubChem CID58374592
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone
SMILESO=C(Cc1nc2cccc(-c3ccc4c(ccn4Cc4ccccc4)c3)n2n1)C1CC1
InChIInChI=1S/C26H22N4O/c31-24(19-9-10-19)16-25-27-26-8-4-7-23(30(26)28-25)20-11-12-22-21(15-20)13-14-29(22)17-18-5-2-1-3-6-18/h1-8,11-15,19H,9-10,16-17H2
InChIKeyOEFUBNYAWDONHF-UHFFFAOYSA-N
XLogP4.92
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone (CID 58374592) is 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is O=C(Cc1nc2cccc(-c3ccc4c(ccn4Cc4ccccc4)c3)n2n1)C1CC1.
What is the InChIKey of 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
The InChIKey is OEFUBNYAWDONHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c31-24(19-9-10-19)16-25-27-26-8-4-7-23(30(26)28-25)20-11-12-22-21(15-20)13-14-29(22)17-18-5-2-1-3-6-18/h1-8,11-15,19H,9-10,16-17H2.
What are the key properties of 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone?
2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone has a molecular weight of 406.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzylindol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1-cyclopropylethanone is sourced from PubChem (CID 58374592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).