4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C18H19N3O — CID 861692

IUPAC4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1
InChIInChI=1S/C18H19N3O/c22-15-10-8-13(9-11-15)17-18(19-14-5-1-2-6-14)21-12-4-3-7-16(21)20-17/h3-4,7-12,14,19,22H,1-2,5-6H2
InChIKeyXBBISKADLLCMIY-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.06
Rot. Bonds3

About 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol

4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 861692) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID861692
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1
InChIInChI=1S/C18H19N3O/c22-15-10-8-13(9-11-15)17-18(19-14-5-1-2-6-14)21-12-4-3-7-16(21)20-17/h3-4,7-12,14,19,22H,1-2,5-6H2
InChIKeyXBBISKADLLCMIY-UHFFFAOYSA-N
XLogP4.06
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 861692) is 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1.
What is the InChIKey of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is XBBISKADLLCMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-15-10-8-13(9-11-15)17-18(19-14-5-1-2-6-14)21-12-4-3-7-16(21)20-17/h3-4,7-12,14,19,22H,1-2,5-6H2.
What are the key properties of 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 293.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 861692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).