N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C20H22N4O3 — CID 91917257

IUPACN-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C20H22N4O3/c1-2-27-17-10-6-5-9-16(17)21-18(25)13-23-11-12-24-19(20(23)26)14-7-3-4-8-15(14)22-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,21,25)
InChIKeyVQOQKHJBEFOYKB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.41
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91917257) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91917257
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C20H22N4O3/c1-2-27-17-10-6-5-9-16(17)21-18(25)13-23-11-12-24-19(20(23)26)14-7-3-4-8-15(14)22-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,21,25)
InChIKeyVQOQKHJBEFOYKB-UHFFFAOYSA-N
XLogP2.41
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91917257) is N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CCOc1ccccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is VQOQKHJBEFOYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-27-17-10-6-5-9-16(17)21-18(25)13-23-11-12-24-19(20(23)26)14-7-3-4-8-15(14)22-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91917257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).