(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate

C21H17N3O3 — CID 166189427

IUPAC(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCc1ncc2ccc(C(=O)OCc3ccc(Oc4cccnc4)cc3)cn12
InChIInChI=1S/C21H17N3O3/c1-15-23-11-18-7-6-17(13-24(15)18)21(25)26-14-16-4-8-19(9-5-16)27-20-3-2-10-22-12-20/h2-13H,14H2,1H3
InChIKeyMUWGJGRAQVCDNB-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.19
Rot. Bonds5

About (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate

(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 166189427) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID166189427
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCc1ncc2ccc(C(=O)OCc3ccc(Oc4cccnc4)cc3)cn12
InChIInChI=1S/C21H17N3O3/c1-15-23-11-18-7-6-17(13-24(15)18)21(25)26-14-16-4-8-19(9-5-16)27-20-3-2-10-22-12-20/h2-13H,14H2,1H3
InChIKeyMUWGJGRAQVCDNB-UHFFFAOYSA-N
XLogP4.19
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
(4-pyridin-3-yloxyphenyl)methyl 7-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 166189756
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-6-carboxylate
CID 117140299
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
4-pyridin-3-yloxybenzoic acid
CID 22261667
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
ethyl 3-methyl-4-oxo-4-(4-pyridin-3-yloxyphenyl)butanoate
CID 14798053
(4-pyridin-3-yloxyphenyl)methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 166194144
benzyl pyridine-3-carboxylate;ethyl 4-aminobenzoate
CID 174833774

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate (CID 166189427) is (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate is Cc1ncc2ccc(C(=O)OCc3ccc(Oc4cccnc4)cc3)cn12.
What is the InChIKey of (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MUWGJGRAQVCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-15-23-11-18-7-6-17(13-24(15)18)21(25)26-14-16-4-8-19(9-5-16)27-20-3-2-10-22-12-20/h2-13H,14H2,1H3.
What are the key properties of (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate?
(4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yloxyphenyl)methyl 3-methylimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 166189427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).