2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol

C21H21FN6O — CID 24887880

IUPAC2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H21FN6O/c1-27(10-11-29)13-14-7-9-28-18(12-14)26-19(15-2-4-16(22)5-3-15)20(28)17-6-8-24-21(23)25-17/h2-9,12,29H,10-11,13H2,1H3,(H2,23,24,25)
InChIKeyVQSDDUYZRBWYQQ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.60
Rot. Bonds6

About 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol

2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol (PubChem CID 24887880) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
PubChem CID24887880
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H21FN6O/c1-27(10-11-29)13-14-7-9-28-18(12-14)26-19(15-2-4-16(22)5-3-15)20(28)17-6-8-24-21(23)25-17/h2-9,12,29H,10-11,13H2,1H3,(H2,23,24,25)
InChIKeyVQSDDUYZRBWYQQ-UHFFFAOYSA-N
XLogP2.60
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol (CID 24887880) is 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol is CN(CCO)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol?
The InChIKey is VQSDDUYZRBWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-27(10-11-29)13-14-7-9-28-18(12-14)26-19(15-2-4-16(22)5-3-15)20(28)17-6-8-24-21(23)25-17/h2-9,12,29H,10-11,13H2,1H3,(H2,23,24,25).
What are the key properties of 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol?
2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol has a molecular weight of 392.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 24887880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).