2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one

C20H17N3O — CID 163599718

IUPAC2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=C1N(c2ccc(C#Cc3ccccc3)cn2)CC2CCC=CN12
InChIInChI=1S/C20H17N3O/c24-20-22-13-5-4-8-18(22)15-23(20)19-12-11-17(14-21-19)10-9-16-6-2-1-3-7-16/h1-3,5-7,11-14,18H,4,8,15H2
InChIKeyGWOVAYYSPZDTJN-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.40
Rot. Bonds1

About 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one

2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 163599718) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID163599718
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=C1N(c2ccc(C#Cc3ccccc3)cn2)CC2CCC=CN12
InChIInChI=1S/C20H17N3O/c24-20-22-13-5-4-8-18(22)15-23(20)19-12-11-17(14-21-19)10-9-16-6-2-1-3-7-16/h1-3,5-7,11-14,18H,4,8,15H2
InChIKeyGWOVAYYSPZDTJN-UHFFFAOYSA-N
XLogP3.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 163599718) is 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one is O=C1N(c2ccc(C#Cc3ccccc3)cn2)CC2CCC=CN12.
What is the InChIKey of 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is GWOVAYYSPZDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20-22-13-5-4-8-18(22)15-23(20)19-12-11-17(14-21-19)10-9-16-6-2-1-3-7-16/h1-3,5-7,11-14,18H,4,8,15H2.
What are the key properties of 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one?
2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 315.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 163599718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).