2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

C22H17ClFN3O2 — CID 4688661

IUPAC2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccn2c(NC(=O)COc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17ClFN3O2/c1-14-10-11-27-19(12-14)25-21(15-2-6-17(24)7-3-15)22(27)26-20(28)13-29-18-8-4-16(23)5-9-18/h2-12H,13H2,1H3,(H,26,28)
InChIKeyMLWDUXRXGJXIFX-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.12
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 4688661) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID4688661
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccn2c(NC(=O)COc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H17ClFN3O2/c1-14-10-11-27-19(12-14)25-21(15-2-6-17(24)7-3-15)22(27)26-20(28)13-29-18-8-4-16(23)5-9-18/h2-12H,13H2,1H3,(H,26,28)
InChIKeyMLWDUXRXGJXIFX-UHFFFAOYSA-N
XLogP5.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide (CID 4688661) is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is Cc1ccn2c(NC(=O)COc3ccc(Cl)cc3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is MLWDUXRXGJXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-14-10-11-27-19(12-14)25-21(15-2-6-17(24)7-3-15)22(27)26-20(28)13-29-18-8-4-16(23)5-9-18/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 409.85 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 4688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).