(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid

C16H12N2O2 — CID 5394853

IUPAC(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1nc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)/b10-9+
InChIKeyUQGRBXNXIVUGMC-MDZDMXLPSA-N
MW264.28 g/mol
LogP3.10
Rot. Bonds3

About (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid

(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid (PubChem CID 5394853) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid
PubChem CID5394853
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1nc(-c2ccccc2)n2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)/b10-9+
InChIKeyUQGRBXNXIVUGMC-MDZDMXLPSA-N
XLogP3.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid (CID 5394853) is (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid is O=C(O)/C=C/c1nc(-c2ccccc2)n2ccccc12.
What is the InChIKey of (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid?
The InChIKey is UQGRBXNXIVUGMC-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15(20)10-9-13-14-8-4-5-11-18(14)16(17-13)12-6-2-1-3-7-12/h1-11H,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid?
(E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-phenylimidazo[1,5-a]pyridin-1-yl)prop-2-enoic acid is sourced from PubChem (CID 5394853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).