4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C21H21FN6O — CID 155516599

IUPAC4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CCOc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H21FN6O/c1-27(2)11-12-29-16-8-10-28-18(13-16)26-19(14-3-5-15(22)6-4-14)20(28)17-7-9-24-21(23)25-17/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyYQWUJHJNBRZZGC-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.12
Rot. Bonds6

About 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 155516599) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID155516599
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CCOc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H21FN6O/c1-27(2)11-12-29-16-8-10-28-18(13-16)26-19(14-3-5-15(22)6-4-14)20(28)17-7-9-24-21(23)25-17/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyYQWUJHJNBRZZGC-UHFFFAOYSA-N
XLogP3.12
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 155516599) is 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)CCOc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is YQWUJHJNBRZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-27(2)11-12-29-16-8-10-28-18(13-16)26-19(14-3-5-15(22)6-4-14)20(28)17-7-9-24-21(23)25-17/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25).
What are the key properties of 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 392.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(dimethylamino)ethoxy]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155516599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).