N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C22H21N5O3 — CID 46240955

IUPACN-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOc1ccc(Nc2nccn3c(-c4cccc(C(=O)NCCO)c4)cnc23)cc1
InChIInChI=1S/C22H21N5O3/c1-30-18-7-5-17(6-8-18)26-20-21-25-14-19(27(21)11-9-23-20)15-3-2-4-16(13-15)22(29)24-10-12-28/h2-9,11,13-14,28H,10,12H2,1H3,(H,23,26)(H,24,29)
InChIKeyKJFRQMZFTZNVPA-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.87
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 46240955) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID46240955
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOc1ccc(Nc2nccn3c(-c4cccc(C(=O)NCCO)c4)cnc23)cc1
InChIInChI=1S/C22H21N5O3/c1-30-18-7-5-17(6-8-18)26-20-21-25-14-19(27(21)11-9-23-20)15-3-2-4-16(13-15)22(29)24-10-12-28/h2-9,11,13-14,28H,10,12H2,1H3,(H,23,26)(H,24,29)
InChIKeyKJFRQMZFTZNVPA-UHFFFAOYSA-N
XLogP2.87
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.87
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-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 46240955) is N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide is COc1ccc(Nc2nccn3c(-c4cccc(C(=O)NCCO)c4)cnc23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is KJFRQMZFTZNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-18-7-5-17(6-8-18)26-20-21-25-14-19(27(21)11-9-23-20)15-3-2-4-16(13-15)22(29)24-10-12-28/h2-9,11,13-14,28H,10,12H2,1H3,(H,23,26)(H,24,29).
What are the key properties of N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 46240955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).