2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone

C23H24N6O3 — CID 126602823

IUPAC2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(Cc2cn3cc(Oc4ccc(-c5cnc[nH]5)cc4)ccc3n2)CC1
InChIInChI=1S/C23H24N6O3/c30-15-23(31)28-9-7-27(8-10-28)12-18-13-29-14-20(5-6-22(29)26-18)32-19-3-1-17(2-4-19)21-11-24-16-25-21/h1-6,11,13-14,16,30H,7-10,12,15H2,(H,24,25)
InChIKeyFKURZCIHJXPHPW-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.15
Rot. Bonds6

About 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone

2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 126602823) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID126602823
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(Cc2cn3cc(Oc4ccc(-c5cnc[nH]5)cc4)ccc3n2)CC1
InChIInChI=1S/C23H24N6O3/c30-15-23(31)28-9-7-27(8-10-28)12-18-13-29-14-20(5-6-22(29)26-18)32-19-3-1-17(2-4-19)21-11-24-16-25-21/h1-6,11,13-14,16,30H,7-10,12,15H2,(H,24,25)
InChIKeyFKURZCIHJXPHPW-UHFFFAOYSA-N
XLogP2.15
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone (CID 126602823) is 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone is O=C(CO)N1CCN(Cc2cn3cc(Oc4ccc(-c5cnc[nH]5)cc4)ccc3n2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FKURZCIHJXPHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-15-23(31)28-9-7-27(8-10-28)12-18-13-29-14-20(5-6-22(29)26-18)32-19-3-1-17(2-4-19)21-11-24-16-25-21/h1-6,11,13-14,16,30H,7-10,12,15H2,(H,24,25).
What are the key properties of 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone?
2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 432.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[6-[4-(1H-imidazol-5-yl)phenoxy]imidazo[1,2-a]pyridin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126602823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).