N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

C22H20FN3O2 — CID 1495648

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(CNc2c(-c3ccc(F)cc3)nc3ccccn23)c1OC
InChIInChI=1S/C22H20FN3O2/c1-27-18-7-5-6-16(21(18)28-2)14-24-22-20(15-9-11-17(23)12-10-15)25-19-8-3-4-13-26(19)22/h3-13,24H,14H2,1-2H3
InChIKeyAAOZIRHJEWEIHW-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.77
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 1495648) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID1495648
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(CNc2c(-c3ccc(F)cc3)nc3ccccn23)c1OC
InChIInChI=1S/C22H20FN3O2/c1-27-18-7-5-6-16(21(18)28-2)14-24-22-20(15-9-11-17(23)12-10-15)25-19-8-3-4-13-26(19)22/h3-13,24H,14H2,1-2H3
InChIKeyAAOZIRHJEWEIHW-UHFFFAOYSA-N
XLogP4.77
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 1495648) is N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is COc1cccc(CNc2c(-c3ccc(F)cc3)nc3ccccn23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is AAOZIRHJEWEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-27-18-7-5-6-16(21(18)28-2)14-24-22-20(15-9-11-17(23)12-10-15)25-19-8-3-4-13-26(19)22/h3-13,24H,14H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 1495648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).