N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide

C23H22N4O2 — CID 164572319

IUPACN-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(C)n2ccc3cc(-c4ccnn4C)ccc3c2=O)c1
InChIInChI=1S/C23H22N4O2/c1-15(16-5-4-6-19(13-16)22(28)24-2)27-12-10-17-14-18(7-8-20(17)23(27)29)21-9-11-25-26(21)3/h4-15H,1-3H3,(H,24,28)
InChIKeyYMXBGYQUYTVTIB-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide

N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide (PubChem CID 164572319) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
PubChem CID164572319
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
SMILESCNC(=O)c1cccc(C(C)n2ccc3cc(-c4ccnn4C)ccc3c2=O)c1
InChIInChI=1S/C23H22N4O2/c1-15(16-5-4-6-19(13-16)22(28)24-2)27-12-10-17-14-18(7-8-20(17)23(27)29)21-9-11-25-26(21)3/h4-15H,1-3H3,(H,24,28)
InChIKeyYMXBGYQUYTVTIB-UHFFFAOYSA-N
XLogP3.37
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572074
3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide
CID 167403913
3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 164572141
3-(2-methylpyrazol-3-yl)benzoate
CID 42556015
3-[(1R)-1-[7-(5-bromo-1H-pyrazol-4-yl)-4-oxoquinazolin-3-yl]ethyl]-N-(trideuteriomethyl)benzamide
CID 167403903
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
CID 63962450
4-(5-hydroxynaphthalen-2-yl)-N-methylbenzamide
CID 53324529
3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
CID 155594052
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone
CID 123817461

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The IUPAC name of N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide (CID 164572319) is N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide is CNC(=O)c1cccc(C(C)n2ccc3cc(-c4ccnn4C)ccc3c2=O)c1.
What is the InChIKey of N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
The InChIKey is YMXBGYQUYTVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(16-5-4-6-19(13-16)22(28)24-2)27-12-10-17-14-18(7-8-20(17)23(27)29)21-9-11-25-26(21)3/h4-15H,1-3H3,(H,24,28).
What are the key properties of N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide?
N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 164572319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).