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

C22H20N4O4 — CID 137120121

IUPACN-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1cc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)ccc1O
InChIInChI=1S/C22H20N4O4/c1-30-20-10-15(5-6-19(20)28)18-11-25-21-12-24-17(13-26(18)21)14-3-2-4-16(9-14)22(29)23-7-8-27/h2-6,9-13,27-28H,7-8H2,1H3,(H,23,29)
InChIKeyNGVKOMYKZNFUJJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.50
Rot. Bonds6

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

N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 137120121) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID137120121
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1cc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)ccc1O
InChIInChI=1S/C22H20N4O4/c1-30-20-10-15(5-6-19(20)28)18-11-25-21-12-24-17(13-26(18)21)14-3-2-4-16(9-14)22(29)23-7-8-27/h2-6,9-13,27-28H,7-8H2,1H3,(H,23,29)
InChIKeyNGVKOMYKZNFUJJ-UHFFFAOYSA-N
XLogP2.50
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 137120121) is N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is COc1cc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)ccc1O.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is NGVKOMYKZNFUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-30-20-10-15(5-6-19(20)28)18-11-25-21-12-24-17(13-26(18)21)14-3-2-4-16(9-14)22(29)23-7-8-27/h2-6,9-13,27-28H,7-8H2,1H3,(H,23,29).
What are the key properties of N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 137120121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).