4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

C20H23N3O2 — CID 855600

IUPAC4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc(C)ccn3c2NC2CCCC2)ccc1O
InChIInChI=1S/C20H23N3O2/c1-13-9-10-23-18(11-13)22-19(20(23)21-15-5-3-4-6-15)14-7-8-16(24)17(12-14)25-2/h7-12,15,21,24H,3-6H2,1-2H3
InChIKeyCXFUTRYVGPHSDD-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.38
Rot. Bonds4

About 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (PubChem CID 855600) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
PubChem CID855600
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc(C)ccn3c2NC2CCCC2)ccc1O
InChIInChI=1S/C20H23N3O2/c1-13-9-10-23-18(11-13)22-19(20(23)21-15-5-3-4-6-15)14-7-8-16(24)17(12-14)25-2/h7-12,15,21,24H,3-6H2,1-2H3
InChIKeyCXFUTRYVGPHSDD-UHFFFAOYSA-N
XLogP4.38
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (CID 855600) is 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3cc(C)ccn3c2NC2CCCC2)ccc1O.
What is the InChIKey of 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The InChIKey is CXFUTRYVGPHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-9-10-23-18(11-13)22-19(20(23)21-15-5-3-4-6-15)14-7-8-16(24)17(12-14)25-2/h7-12,15,21,24H,3-6H2,1-2H3.
What are the key properties of 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol has a molecular weight of 337.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 855600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).