methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate

C14H11N3O2 — CID 117145201

IUPACmethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3cccnc3)ncc2c1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)10-4-6-17-12(7-10)9-16-13(17)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyOYEDQKXHMXNIQD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds2

About methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate

methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117145201) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117145201
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3cccnc3)ncc2c1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)10-4-6-17-12(7-10)9-16-13(17)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyOYEDQKXHMXNIQD-UHFFFAOYSA-N
XLogP2.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate (CID 117145201) is methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3cccnc3)ncc2c1.
What is the InChIKey of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is OYEDQKXHMXNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)10-4-6-17-12(7-10)9-16-13(17)11-3-2-5-15-8-11/h2-9H,1H3.
What are the key properties of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117145201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).