2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole

C20H19N5O — CID 118723483

IUPAC2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(-c3nc4cccnc4n3C3CCCC3)cc2)o1
InChIInChI=1S/C20H19N5O/c1-13-23-24-20(26-13)15-10-8-14(9-11-15)18-22-17-7-4-12-21-19(17)25(18)16-5-2-3-6-16/h4,7-12,16H,2-3,5-6H2,1H3
InChIKeyWVRLGQUQKADIAZ-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.57
Rot. Bonds3

About 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole

2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 118723483) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID118723483
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(-c3nc4cccnc4n3C3CCCC3)cc2)o1
InChIInChI=1S/C20H19N5O/c1-13-23-24-20(26-13)15-10-8-14(9-11-15)18-22-17-7-4-12-21-19(17)25(18)16-5-2-3-6-16/h4,7-12,16H,2-3,5-6H2,1H3
InChIKeyWVRLGQUQKADIAZ-UHFFFAOYSA-N
XLogP4.57
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole (CID 118723483) is 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(-c3nc4cccnc4n3C3CCCC3)cc2)o1.
What is the InChIKey of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WVRLGQUQKADIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-23-24-20(26-13)15-10-8-14(9-11-15)18-22-17-7-4-12-21-19(17)25(18)16-5-2-3-6-16/h4,7-12,16H,2-3,5-6H2,1H3.
What are the key properties of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 345.41 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 118723483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).