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

C22H23FN6O — CID 24746215

IUPAC2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCCO)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6O/c1-28(2)14-15-8-11-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-24-22(26-18)25-10-12-30/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,24,25,26)
InChIKeyAKZDXZJVUKJRRT-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.06
Rot. Bonds7

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

2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 24746215) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID24746215
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCCO)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6O/c1-28(2)14-15-8-11-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-24-22(26-18)25-10-12-30/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,24,25,26)
InChIKeyAKZDXZJVUKJRRT-UHFFFAOYSA-N
XLogP3.06
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol (CID 24746215) is 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol is CN(C)Cc1ccn2c(-c3ccnc(NCCO)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is AKZDXZJVUKJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-28(2)14-15-8-11-29-19(13-15)27-20(16-3-5-17(23)6-4-16)21(29)18-7-9-24-22(26-18)25-10-12-30/h3-9,11,13,30H,10,12,14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 406.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 24746215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).