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

C19H17N5O — CID 118723494

IUPAC2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
SMILESc1cnc2c(c1)nc(-c1ccc(-c3nnco3)cc1)n2C1CCCC1
InChIInChI=1S/C19H17N5O/c1-2-5-15(4-1)24-17(22-16-6-3-11-20-18(16)24)13-7-9-14(10-8-13)19-23-21-12-25-19/h3,6-12,15H,1-2,4-5H2
InChIKeySSIMRBNYZCNFTK-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.26
Rot. Bonds3

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

2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 118723494) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID118723494
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
SMILESc1cnc2c(c1)nc(-c1ccc(-c3nnco3)cc1)n2C1CCCC1
InChIInChI=1S/C19H17N5O/c1-2-5-15(4-1)24-17(22-16-6-3-11-20-18(16)24)13-7-9-14(10-8-13)19-23-21-12-25-19/h3,6-12,15H,1-2,4-5H2
InChIKeySSIMRBNYZCNFTK-UHFFFAOYSA-N
XLogP4.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.26
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]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole (CID 118723494) is 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole is c1cnc2c(c1)nc(-c1ccc(-c3nnco3)cc1)n2C1CCCC1.
What is the InChIKey of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is SSIMRBNYZCNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-5-15(4-1)24-17(22-16-6-3-11-20-18(16)24)13-7-9-14(10-8-13)19-23-21-12-25-19/h3,6-12,15H,1-2,4-5H2.
What are the key properties of 2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole?
2-[4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 331.38 g/mol, XLogP of 4.26, 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]-1,3,4-oxadiazole is sourced from PubChem (CID 118723494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).