3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile

C24H19N5O2 — CID 118454354

IUPAC3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile
SMILESN#Cc1cccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCC2=O)c1
InChIInChI=1S/C24H19N5O2/c25-14-16-4-1-5-19(12-16)31-21-13-17(23-27-20-6-2-10-26-24(20)28-23)8-9-18(21)15-29-11-3-7-22(29)30/h1-2,4-6,8-10,12-13H,3,7,11,15H2,(H,26,27,28)
InChIKeyIPHMZBVTXGWZIN-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.41
Rot. Bonds5

About 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile

3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile (PubChem CID 118454354) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile
PubChem CID118454354
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile
SMILESN#Cc1cccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCC2=O)c1
InChIInChI=1S/C24H19N5O2/c25-14-16-4-1-5-19(12-16)31-21-13-17(23-27-20-6-2-10-26-24(20)28-23)8-9-18(21)15-29-11-3-7-22(29)30/h1-2,4-6,8-10,12-13H,3,7,11,15H2,(H,26,27,28)
InChIKeyIPHMZBVTXGWZIN-UHFFFAOYSA-N
XLogP4.41
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile?
The IUPAC name of 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile (CID 118454354) is 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile.
What is the SMILES notation for 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile?
The canonical SMILES for 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile is N#Cc1cccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCC2=O)c1.
What is the InChIKey of 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile?
The InChIKey is IPHMZBVTXGWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-14-16-4-1-5-19(12-16)31-21-13-17(23-27-20-6-2-10-26-24(20)28-23)8-9-18(21)15-29-11-3-7-22(29)30/h1-2,4-6,8-10,12-13H,3,7,11,15H2,(H,26,27,28).
What are the key properties of 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile?
3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile has a molecular weight of 409.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile is sourced from PubChem (CID 118454354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).