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

C20H26N4O2 — CID 91890108

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCCC1=CCCCC1
InChIInChI=1S/C20H26N4O2/c25-18(21-11-10-15-6-2-1-3-7-15)14-23-12-13-24-19(20(23)26)16-8-4-5-9-17(16)22-24/h6,12-13H,1-5,7-11,14H2,(H,21,25)
InChIKeyXEFUSRYPQAIBHR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.38
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890108) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890108
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCCC1=CCCCC1
InChIInChI=1S/C20H26N4O2/c25-18(21-11-10-15-6-2-1-3-7-15)14-23-12-13-24-19(20(23)26)16-8-4-5-9-17(16)22-24/h6,12-13H,1-5,7-11,14H2,(H,21,25)
InChIKeyXEFUSRYPQAIBHR-UHFFFAOYSA-N
XLogP2.38
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890108) is N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is XEFUSRYPQAIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-18(21-11-10-15-6-2-1-3-7-15)14-23-12-13-24-19(20(23)26)16-8-4-5-9-17(16)22-24/h6,12-13H,1-5,7-11,14H2,(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).