3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one

C25H16N2O — CID 132554190

IUPAC3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)c1cc2ccccc2n1CC#Cc1ccccn1
InChIInChI=1S/C25H16N2O/c28-25(16-15-20-9-2-1-3-10-20)24-19-21-11-4-5-14-23(21)27(24)18-8-13-22-12-6-7-17-26-22/h1-7,9-12,14,17,19H,18H2
InChIKeyXRTOLVLGZIKYFS-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.32
Rot. Bonds2

About 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one

3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one (PubChem CID 132554190) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one.

Molecular Properties

Compound Name3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one
PubChem CID132554190
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)c1cc2ccccc2n1CC#Cc1ccccn1
InChIInChI=1S/C25H16N2O/c28-25(16-15-20-9-2-1-3-10-20)24-19-21-11-4-5-14-23(21)27(24)18-8-13-22-12-6-7-17-26-22/h1-7,9-12,14,17,19H,18H2
InChIKeyXRTOLVLGZIKYFS-UHFFFAOYSA-N
XLogP4.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one?
The IUPAC name of 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one (CID 132554190) is 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one.
What is the SMILES notation for 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one?
The canonical SMILES for 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one is O=C(C#Cc1ccccc1)c1cc2ccccc2n1CC#Cc1ccccn1.
What is the InChIKey of 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one?
The InChIKey is XRTOLVLGZIKYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c28-25(16-15-20-9-2-1-3-10-20)24-19-21-11-4-5-14-23(21)27(24)18-8-13-22-12-6-7-17-26-22/h1-7,9-12,14,17,19H,18H2.
What are the key properties of 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one?
3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one has a molecular weight of 360.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[1-(3-pyridin-2-ylprop-2-ynyl)indol-2-yl]prop-2-yn-1-one is sourced from PubChem (CID 132554190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).