N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

C20H22N4O2 — CID 91890101

IUPACN-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C20H22N4O2/c1-2-14-7-9-15(10-8-14)21-18(25)13-23-11-12-24-19(20(23)26)16-5-3-4-6-17(16)22-24/h7-12H,2-6,13H2,1H3,(H,21,25)
InChIKeyVLBDKSVIOGFPBC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.58
Rot. Bonds4

About N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide

N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890101) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890101
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C20H22N4O2/c1-2-14-7-9-15(10-8-14)21-18(25)13-23-11-12-24-19(20(23)26)16-5-3-4-6-17(16)22-24/h7-12H,2-6,13H2,1H3,(H,21,25)
InChIKeyVLBDKSVIOGFPBC-UHFFFAOYSA-N
XLogP2.58
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890101) is N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is CCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is VLBDKSVIOGFPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-14-7-9-15(10-8-14)21-18(25)13-23-11-12-24-19(20(23)26)16-5-3-4-6-17(16)22-24/h7-12H,2-6,13H2,1H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).