1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one

C23H19FN4O2 — CID 118454307

IUPAC1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc3ncccc3[nH]2)cc1Oc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-7-9-18(10-8-17)30-20-13-15(22-26-19-3-1-11-25-23(19)27-22)5-6-16(20)14-28-12-2-4-21(28)29/h1,3,5-11,13H,2,4,12,14H2,(H,25,26,27)
InChIKeyYBSWCBRZBKLARC-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.68
Rot. Bonds5

About 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one

1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 118454307) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID118454307
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(-c2nc3ncccc3[nH]2)cc1Oc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2/c24-17-7-9-18(10-8-17)30-20-13-15(22-26-19-3-1-11-25-23(19)27-22)5-6-16(20)14-28-12-2-4-21(28)29/h1,3,5-11,13H,2,4,12,14H2,(H,25,26,27)
InChIKeyYBSWCBRZBKLARC-UHFFFAOYSA-N
XLogP4.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzonitrile
CID 118454354
1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one
CID 118454360
1-[[2-[(6-methylsulfonyl-3-pyridinyl)oxy]-4-(6-propoxy-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454278
1-[[2-(4-chloro-3-fluorophenoxy)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454375
1-[[6-(3-chloro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidin-2-one
CID 59729152
1-[[2-(4-chloro-3-fluorophenoxy)-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidin-2-one
CID 118454367
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948040
1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
CID 118465788
1-[(3S,4R)-3-hydroxy-6-(1H-imidazo[4,5-b]pyridin-2-yl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrrolidin-2-one
CID 14511133
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
methyl 3-[4-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 144948264

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one (CID 118454307) is 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(-c2nc3ncccc3[nH]2)cc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is YBSWCBRZBKLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-7-9-18(10-8-17)30-20-13-15(22-26-19-3-1-11-25-23(19)27-22)5-6-16(20)14-28-12-2-4-21(28)29/h1,3,5-11,13H,2,4,12,14H2,(H,25,26,27).
What are the key properties of 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 402.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenoxy)-4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118454307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).