(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate

C21H17N3O2 — CID 166360497

IUPAC(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1nc2ccccn2c1C(=O)OCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H17N3O2/c1-15-20(24-11-3-2-9-19(24)23-15)21(25)26-14-16-6-4-7-17(12-16)18-8-5-10-22-13-18/h2-13H,14H2,1H3
InChIKeyGZEUDVLHFFYHPQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.06
Rot. Bonds4

About (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate

(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 166360497) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID166360497
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1nc2ccccn2c1C(=O)OCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H17N3O2/c1-15-20(24-11-3-2-9-19(24)23-15)21(25)26-14-16-6-4-7-17(12-16)18-8-5-10-22-13-18/h2-13H,14H2,1H3
InChIKeyGZEUDVLHFFYHPQ-UHFFFAOYSA-N
XLogP4.06
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 166360497) is (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate is Cc1nc2ccccn2c1C(=O)OCc1cccc(-c2cccnc2)c1.
What is the InChIKey of (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is GZEUDVLHFFYHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-15-20(24-11-3-2-9-19(24)23-15)21(25)26-14-16-6-4-7-17(12-16)18-8-5-10-22-13-18/h2-13H,14H2,1H3.
What are the key properties of (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
(3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylphenyl)methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 166360497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).