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

C18H17BrClN3O — CID 45268413

IUPAC3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
SMILESOc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1Cl
InChIInChI=1S/C18H17BrClN3O/c19-11-8-9-15-22-17(13-6-3-7-14(24)16(13)20)18(23(15)10-11)21-12-4-1-2-5-12/h3,6-10,12,21,24H,1-2,4-5H2
InChIKeyZCFVKEPUTUTXTQ-UHFFFAOYSA-N
MW406.71 g/mol
LogP5.48
Rot. Bonds3

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

3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol (PubChem CID 45268413) has the molecular formula C18H17BrClN3O and a molecular weight of 406.71 g/mol. Its IUPAC name is 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
PubChem CID45268413
Molecular FormulaC18H17BrClN3O
Molecular Weight406.71 g/mol
Exact Mass405.02
IUPAC Name3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
SMILESOc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1Cl
InChIInChI=1S/C18H17BrClN3O/c19-11-8-9-15-22-17(13-6-3-7-14(24)16(13)20)18(23(15)10-11)21-12-4-1-2-5-12/h3,6-10,12,21,24H,1-2,4-5H2
InChIKeyZCFVKEPUTUTXTQ-UHFFFAOYSA-N
XLogP5.48
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol?
The IUPAC name of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol (CID 45268413) is 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol.
What is the SMILES notation for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol?
The canonical SMILES for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol is Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1Cl.
What is the InChIKey of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol?
The InChIKey is ZCFVKEPUTUTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O/c19-11-8-9-15-22-17(13-6-3-7-14(24)16(13)20)18(23(15)10-11)21-12-4-1-2-5-12/h3,6-10,12,21,24H,1-2,4-5H2.
What are the key properties of 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol?
3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol has a molecular weight of 406.71 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol is sourced from PubChem (CID 45268413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).