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

C19H20N4O2 — CID 91890087

IUPACN-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17(20-12-14-6-2-1-3-7-14)13-22-10-11-23-18(19(22)25)15-8-4-5-9-16(15)21-23/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,20,24)
InChIKeyXVWKIOZIVPGFGM-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.69
Rot. Bonds4

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

N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890087) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890087
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccccc1
InChIInChI=1S/C19H20N4O2/c24-17(20-12-14-6-2-1-3-7-14)13-22-10-11-23-18(19(22)25)15-8-4-5-9-16(15)21-23/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,20,24)
InChIKeyXVWKIOZIVPGFGM-UHFFFAOYSA-N
XLogP1.69
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890087) is N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is XVWKIOZIVPGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(20-12-14-6-2-1-3-7-14)13-22-10-11-23-18(19(22)25)15-8-4-5-9-16(15)21-23/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H,20,24).
What are the key properties of N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).