methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate

C14H11N3O2 — CID 117140299

IUPACmethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3cccnc3)n2c1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-4-5-12-8-16-13(17(12)9-11)10-3-2-6-15-7-10/h2-9H,1H3
InChIKeyQLMSBDRSUMYJFJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds2

About methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate

methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117140299) 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-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117140299
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namemethyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(-c3cccnc3)n2c1
InChIInChI=1S/C14H11N3O2/c1-19-14(18)11-4-5-12-8-16-13(17(12)9-11)10-3-2-6-15-7-10/h2-9H,1H3
InChIKeyQLMSBDRSUMYJFJ-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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Related Compounds

methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate
CID 166189427
(111C)methyl pyridine-3-carboxylate
CID 11309537
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
methyl 3-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140386
methyl 3-[(1-methylpiperidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 117140246
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448
methyl 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2012499
methyl 4-(2-pyridin-3-ylethynyl)benzoate
CID 15898469
methyl 3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145291
ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
CID 169237726

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate (CID 117140299) is methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2cnc(-c3cccnc3)n2c1.
What is the InChIKey of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QLMSBDRSUMYJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14(18)11-4-5-12-8-16-13(17(12)9-11)10-3-2-6-15-7-10/h2-9H,1H3.
What are the key properties of methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate?
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-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-6-carboxylate is sourced from PubChem (CID 117140299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).