4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H23FN6O — CID 24887881

IUPAC4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6O/c1-28(11-12-30-2)14-15-8-10-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-25-22(24)26-18/h3-10,13H,11-12,14H2,1-2H3,(H2,24,25,26)
InChIKeyFJVRSAQQXGOXKH-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.26
Rot. Bonds7

About 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887881) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887881
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6O/c1-28(11-12-30-2)14-15-8-10-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-25-22(24)26-18/h3-10,13H,11-12,14H2,1-2H3,(H2,24,25,26)
InChIKeyFJVRSAQQXGOXKH-UHFFFAOYSA-N
XLogP3.26
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887881) is 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is COCCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is FJVRSAQQXGOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-28(11-12-30-2)14-15-8-10-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-25-22(24)26-18/h3-10,13H,11-12,14H2,1-2H3,(H2,24,25,26).
What are the key properties of 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 406.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).