2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C18H18BrN3O — CID 1154275

IUPAC2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCC1
InChIInChI=1S/C18H18BrN3O/c19-12-9-10-16-21-17(14-7-3-4-8-15(14)23)18(22(16)11-12)20-13-5-1-2-6-13/h3-4,7-11,13,20,23H,1-2,5-6H2
InChIKeyFLSDYSNVSHIZGO-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.82
Rot. Bonds3

About 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol

2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 1154275) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID1154275
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCC1
InChIInChI=1S/C18H18BrN3O/c19-12-9-10-16-21-17(14-7-3-4-8-15(14)23)18(22(16)11-12)20-13-5-1-2-6-13/h3-4,7-11,13,20,23H,1-2,5-6H2
InChIKeyFLSDYSNVSHIZGO-UHFFFAOYSA-N
XLogP4.82
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 1154275) is 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCC1.
What is the InChIKey of 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is FLSDYSNVSHIZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c19-12-9-10-16-21-17(14-7-3-4-8-15(14)23)18(22(16)11-12)20-13-5-1-2-6-13/h3-4,7-11,13,20,23H,1-2,5-6H2.
What are the key properties of 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 372.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 1154275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).