N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C27H22N4O3 — CID 126672790

IUPACN-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1
InChIInChI=1S/C27H22N4O3/c32-15-14-28-27(33)21-8-6-19(7-9-21)24-18-31-25(16-30-26(31)17-29-24)20-10-12-23(13-11-20)34-22-4-2-1-3-5-22/h1-13,16-18,32H,14-15H2,(H,28,33)
InChIKeyDCCULLYXKGKPKM-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.58
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 126672790) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID126672790
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1
InChIInChI=1S/C27H22N4O3/c32-15-14-28-27(33)21-8-6-19(7-9-21)24-18-31-25(16-30-26(31)17-29-24)20-10-12-23(13-11-20)34-22-4-2-1-3-5-22/h1-13,16-18,32H,14-15H2,(H,28,33)
InChIKeyDCCULLYXKGKPKM-UHFFFAOYSA-N
XLogP4.58
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 126672790) is N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is O=C(NCCO)c1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is DCCULLYXKGKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-15-14-28-27(33)21-8-6-19(7-9-21)24-18-31-25(16-30-26(31)17-29-24)20-10-12-23(13-11-20)34-22-4-2-1-3-5-22/h1-13,16-18,32H,14-15H2,(H,28,33).
What are the key properties of N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 126672790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).