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

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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).