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

C20H22N4O2 — CID 91890117

IUPACN-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)12-21-18(25)13-23-10-11-24-19(20(23)26)16-4-2-3-5-17(16)22-24/h6-11H,2-5,12-13H2,1H3,(H,21,25)
InChIKeyNQLTZAVWQSITFE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.00
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (PubChem CID 91890117) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
PubChem CID91890117
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)12-21-18(25)13-23-10-11-24-19(20(23)26)16-4-2-3-5-17(16)22-24/h6-11H,2-5,12-13H2,1H3,(H,21,25)
InChIKeyNQLTZAVWQSITFE-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide with MolForge

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Related Compounds

N-(4-methylphenyl)-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891611
N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095
N-(2-methoxyethyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078367
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-4,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-yl)acetamide
CID 91891609
N-[(4-ethylphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890317
N-[(2R)-butan-2-yl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 99745162
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-[(4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)-2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91894137
N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 46366222
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
2-[(2,5-dimethylphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 91890118

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide (CID 91890117) is N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is Cc1ccc(CNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
The InChIKey is NQLTZAVWQSITFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)12-21-18(25)13-23-10-11-24-19(20(23)26)16-4-2-3-5-17(16)22-24/h6-11H,2-5,12-13H2,1H3,(H,21,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide?
N-[(4-methylphenyl)methyl]-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 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide is sourced from PubChem (CID 91890117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).