1-ethynyl-3-phenylimidazo[1,5-a]pyridine

C15H10N2 — CID 53468720

IUPAC1-ethynyl-3-phenylimidazo[1,5-a]pyridine
SMILESC#Cc1nc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C15H10N2/c1-2-13-14-10-6-7-11-17(14)15(16-13)12-8-4-3-5-9-12/h1,3-11H
InChIKeyRJNLSRXVPQGOOL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.98
Rot. Bonds1

About 1-ethynyl-3-phenylimidazo[1,5-a]pyridine

1-ethynyl-3-phenylimidazo[1,5-a]pyridine (PubChem CID 53468720) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-ethynyl-3-phenylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-ethynyl-3-phenylimidazo[1,5-a]pyridine
PubChem CID53468720
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name1-ethynyl-3-phenylimidazo[1,5-a]pyridine
SMILESC#Cc1nc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C15H10N2/c1-2-13-14-10-6-7-11-17(14)15(16-13)12-8-4-3-5-9-12/h1,3-11H
InChIKeyRJNLSRXVPQGOOL-UHFFFAOYSA-N
XLogP2.98
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-[(3-phenylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
CID 102267342
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
3-(4-fluorophenyl)-1-(2-naphthalen-1-ylethynyl)imidazo[1,5-a]pyridine
CID 53469685
2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]ethynyl-trimethylsilane
CID 53469313
1-(3-phenylimidazo[1,5-a]pyridin-1-yl)propan-2-amine
CID 82021135
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine
CID 117250849
4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol
CID 137005619
3-(3,5-dinaphthalen-2-ylphenyl)-1-phenylimidazo[1,5-a]pyridine
CID 129257002
4-bromo-2-(3-phenylimidazo[1,5-a]pyridin-1-yl)phenol
CID 155115095
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760106
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-3-phenylimidazo[1,5-a]pyridine?
The IUPAC name of 1-ethynyl-3-phenylimidazo[1,5-a]pyridine (CID 53468720) is 1-ethynyl-3-phenylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-ethynyl-3-phenylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-ethynyl-3-phenylimidazo[1,5-a]pyridine is C#Cc1nc(-c2ccccc2)n2ccccc12.
What is the InChIKey of 1-ethynyl-3-phenylimidazo[1,5-a]pyridine?
The InChIKey is RJNLSRXVPQGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-13-14-10-6-7-11-17(14)15(16-13)12-8-4-3-5-9-12/h1,3-11H.
What are the key properties of 1-ethynyl-3-phenylimidazo[1,5-a]pyridine?
1-ethynyl-3-phenylimidazo[1,5-a]pyridine has a molecular weight of 218.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-3-phenylimidazo[1,5-a]pyridine is sourced from PubChem (CID 53468720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).