N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide

C25H23FN4O2 — CID 91890297

IUPACN-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1F
InChIInChI=1S/C25H23FN4O2/c1-16-6-11-19(14-21(16)26)27-24(31)18-9-7-17(8-10-18)15-29-12-13-30-23(25(29)32)20-4-2-3-5-22(20)28-30/h6-14H,2-5,15H2,1H3,(H,27,31)
InChIKeyZLOGYWPWSWJGQG-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.12
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide

N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide (PubChem CID 91890297) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
PubChem CID91890297
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1F
InChIInChI=1S/C25H23FN4O2/c1-16-6-11-19(14-21(16)26)27-24(31)18-9-7-17(8-10-18)15-29-12-13-30-23(25(29)32)20-4-2-3-5-22(20)28-30/h6-14H,2-5,15H2,1H3,(H,27,31)
InChIKeyZLOGYWPWSWJGQG-UHFFFAOYSA-N
XLogP4.12
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890296
N-[(4-ethylphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890317
N-(5-fluoro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890245
N-[(3-methoxyphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890320
2-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358302
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-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
N-(4-ethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890226
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(2,5-diethoxyphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890227

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide (CID 91890297) is N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide is Cc1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
The InChIKey is ZLOGYWPWSWJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-6-11-19(14-21(16)26)27-24(31)18-9-7-17(8-10-18)15-29-12-13-30-23(25(29)32)20-4-2-3-5-22(20)28-30/h6-14H,2-5,15H2,1H3,(H,27,31).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide?
N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide is sourced from PubChem (CID 91890297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).