(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate

C19H19N3O3 — CID 91662310

IUPAC(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCn1cnc2cc(C(=O)OCC3CCOC3c3ccccc3)cnc21
InChIInChI=1S/C19H19N3O3/c1-22-12-21-16-9-15(10-20-18(16)22)19(23)25-11-14-7-8-24-17(14)13-5-3-2-4-6-13/h2-6,9-10,12,14,17H,7-8,11H2,1H3
InChIKeyJOYMVOISDNPULF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.90
Rot. Bonds4

About (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate

(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 91662310) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID91662310
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCn1cnc2cc(C(=O)OCC3CCOC3c3ccccc3)cnc21
InChIInChI=1S/C19H19N3O3/c1-22-12-21-16-9-15(10-20-18(16)22)19(23)25-11-14-7-8-24-17(14)13-5-3-2-4-6-13/h2-6,9-10,12,14,17H,7-8,11H2,1H3
InChIKeyJOYMVOISDNPULF-UHFFFAOYSA-N
XLogP2.90
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate (CID 91662310) is (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate is Cn1cnc2cc(C(=O)OCC3CCOC3c3ccccc3)cnc21.
What is the InChIKey of (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is JOYMVOISDNPULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-12-21-16-9-15(10-20-18(16)22)19(23)25-11-14-7-8-24-17(14)13-5-3-2-4-6-13/h2-6,9-10,12,14,17H,7-8,11H2,1H3.
What are the key properties of (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
(2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyloxolan-3-yl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 91662310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).