methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate

C19H19N3O2 — CID 118723476

IUPACmethyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-19(23)14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3
InChIKeyDKVDWTBGDBPMBA-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.00
Rot. Bonds3

About methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate

methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate (PubChem CID 118723476) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
PubChem CID118723476
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-19(23)14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3
InChIKeyDKVDWTBGDBPMBA-UHFFFAOYSA-N
XLogP4.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate (CID 118723476) is methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate is COC(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1.
What is the InChIKey of methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate?
The InChIKey is DKVDWTBGDBPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-19(23)14-10-8-13(9-11-14)17-21-16-7-4-12-20-18(16)22(17)15-5-2-3-6-15/h4,7-12,15H,2-3,5-6H2,1H3.
What are the key properties of methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate?
methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate has a molecular weight of 321.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 118723476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).