2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

C22H20FN3O — CID 24821763

IUPAC2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCCc1ccn2c(NCc3ccc(F)cc3)c(-c3ccccc3O)nc2c1
InChIInChI=1S/C22H20FN3O/c1-2-15-11-12-26-20(13-15)25-21(18-5-3-4-6-19(18)27)22(26)24-14-16-7-9-17(23)10-8-16/h3-13,24,27H,2,14H2,1H3
InChIKeyISXBHRVAQHTGIN-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.02
Rot. Bonds5

About 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 24821763) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID24821763
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCCc1ccn2c(NCc3ccc(F)cc3)c(-c3ccccc3O)nc2c1
InChIInChI=1S/C22H20FN3O/c1-2-15-11-12-26-20(13-15)25-21(18-5-3-4-6-19(18)27)22(26)24-14-16-7-9-17(23)10-8-16/h3-13,24,27H,2,14H2,1H3
InChIKeyISXBHRVAQHTGIN-UHFFFAOYSA-N
XLogP5.02
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 24821763) is 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is CCc1ccn2c(NCc3ccc(F)cc3)c(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is ISXBHRVAQHTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-2-15-11-12-26-20(13-15)25-21(18-5-3-4-6-19(18)27)22(26)24-14-16-7-9-17(23)10-8-16/h3-13,24,27H,2,14H2,1H3.
What are the key properties of 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 361.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethyl-3-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 24821763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).