1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone

C22H20FN3O2S — CID 46948287

IUPAC1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone
SMILESCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H20FN3O2S/c1-15-22(25(2)13-18-5-4-12-29-18)26-11-3-6-20(21(26)24-15)28-14-19(27)16-7-9-17(23)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyHXZLBAGBCRZQCR-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.74
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone

1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone (PubChem CID 46948287) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone
PubChem CID46948287
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone
SMILESCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H20FN3O2S/c1-15-22(25(2)13-18-5-4-12-29-18)26-11-3-6-20(21(26)24-15)28-14-19(27)16-7-9-17(23)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyHXZLBAGBCRZQCR-UHFFFAOYSA-N
XLogP4.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone (CID 46948287) is 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone is Cc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)Cc1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone?
The InChIKey is HXZLBAGBCRZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-15-22(25(2)13-18-5-4-12-29-18)26-11-3-6-20(21(26)24-15)28-14-19(27)16-7-9-17(23)10-8-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone?
1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone has a molecular weight of 409.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone is sourced from PubChem (CID 46948287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).