1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one

C25H21ClFN3O2 — CID 118465788

IUPAC1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccn2cc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)nc2c1
InChIInChI=1S/C25H21ClFN3O2/c1-16-8-10-29-15-22(28-24(29)11-16)17-4-5-18(14-30-9-2-3-25(30)31)23(12-17)32-19-6-7-20(26)21(27)13-19/h4-8,10-13,15H,2-3,9,14H2,1H3
InChIKeyRRGZNAKTILMMKV-UHFFFAOYSA-N
MW449.91 g/mol
LogP6.02
Rot. Bonds5

About 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one

1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 118465788) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID118465788
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC Name1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccn2cc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)nc2c1
InChIInChI=1S/C25H21ClFN3O2/c1-16-8-10-29-15-22(28-24(29)11-16)17-4-5-18(14-30-9-2-3-25(30)31)23(12-17)32-19-6-7-20(26)21(27)13-19/h4-8,10-13,15H,2-3,9,14H2,1H3
InChIKeyRRGZNAKTILMMKV-UHFFFAOYSA-N
XLogP6.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one (CID 118465788) is 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one is Cc1ccn2cc(-c3ccc(CN4CCCC4=O)c(Oc4ccc(Cl)c(F)c4)c3)nc2c1.
What is the InChIKey of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is RRGZNAKTILMMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c1-16-8-10-29-15-22(28-24(29)11-16)17-4-5-18(14-30-9-2-3-25(30)31)23(12-17)32-19-6-7-20(26)21(27)13-19/h4-8,10-13,15H,2-3,9,14H2,1H3.
What are the key properties of 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one?
1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 449.91 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3-fluorophenoxy)-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118465788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).