5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

C25H25N3O3 — CID 45270106

IUPAC5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc3ccc(Oc4ccccc4)cn3c2NC2CCCC2)cc1O
InChIInChI=1S/C25H25N3O3/c1-30-22-13-11-17(15-21(22)29)24-25(26-18-7-5-6-8-18)28-16-20(12-14-23(28)27-24)31-19-9-3-2-4-10-19/h2-4,9-16,18,26,29H,5-8H2,1H3
InChIKeyCEPFFXRJMHAZDZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.86
Rot. Bonds6

About 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (PubChem CID 45270106) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
PubChem CID45270106
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nc3ccc(Oc4ccccc4)cn3c2NC2CCCC2)cc1O
InChIInChI=1S/C25H25N3O3/c1-30-22-13-11-17(15-21(22)29)24-25(26-18-7-5-6-8-18)28-16-20(12-14-23(28)27-24)31-19-9-3-2-4-10-19/h2-4,9-16,18,26,29H,5-8H2,1H3
InChIKeyCEPFFXRJMHAZDZ-UHFFFAOYSA-N
XLogP5.86
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (CID 45270106) is 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is COc1ccc(-c2nc3ccc(Oc4ccccc4)cn3c2NC2CCCC2)cc1O.
What is the InChIKey of 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The InChIKey is CEPFFXRJMHAZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-22-13-11-17(15-21(22)29)24-25(26-18-7-5-6-8-18)28-16-20(12-14-23(28)27-24)31-19-9-3-2-4-10-19/h2-4,9-16,18,26,29H,5-8H2,1H3.
What are the key properties of 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol has a molecular weight of 415.49 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopentylamino)-6-phenoxyimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 45270106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).