N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide

C21H19N5O4 — CID 126470712

IUPACN-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCOc1ccc(-n2c(=O)[nH]c3nc(-c4cccc(C(=O)NCCO)c4)cnc32)cc1
InChIInChI=1S/C21H19N5O4/c1-30-16-7-5-15(6-8-16)26-19-18(25-21(26)29)24-17(12-23-19)13-3-2-4-14(11-13)20(28)22-9-10-27/h2-8,11-12,27H,9-10H2,1H3,(H,22,28)(H,24,25,29)
InChIKeyCBQKRDHOBLQGAL-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.51
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide

N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 126470712) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID126470712
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCOc1ccc(-n2c(=O)[nH]c3nc(-c4cccc(C(=O)NCCO)c4)cnc32)cc1
InChIInChI=1S/C21H19N5O4/c1-30-16-7-5-15(6-8-16)26-19-18(25-21(26)29)24-17(12-23-19)13-3-2-4-14(11-13)20(28)22-9-10-27/h2-8,11-12,27H,9-10H2,1H3,(H,22,28)(H,24,25,29)
InChIKeyCBQKRDHOBLQGAL-UHFFFAOYSA-N
XLogP1.51
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
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N-(2-hydroxyethyl)-6-methoxyquinoline-3-carboxamide
CID 110489941
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126475139
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(dimethylamino)ethyl]-3-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
CID 126474062
3-(5-amino-6-morpholin-4-ylpyrazin-2-yl)-N-(2-hydroxyethyl)benzamide
CID 126475128
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906
N-(2-hydroxyethyl)-4-methoxy-3-[4-(8-oxo-9-phenyl-7H-purin-6-yl)piperazin-1-yl]benzamide
CID 118111655
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide (CID 126470712) is N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide is COc1ccc(-n2c(=O)[nH]c3nc(-c4cccc(C(=O)NCCO)c4)cnc32)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The InChIKey is CBQKRDHOBLQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-30-16-7-5-15(6-8-16)26-19-18(25-21(26)29)24-17(12-23-19)13-3-2-4-14(11-13)20(28)22-9-10-27/h2-8,11-12,27H,9-10H2,1H3,(H,22,28)(H,24,25,29).
What are the key properties of N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 405.41 g/mol, XLogP of 1.51, 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-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide is sourced from PubChem (CID 126470712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).